(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride

C15H23ClN6OS — CID 120934850

IUPAC(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)c1nnc(CNC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)s1.Cl
InChIInChI=1S/C15H22N6OS.ClH/c1-9(2)15-20-19-13(23-15)7-17-14(22)12-6-16-5-11(12)10-4-18-21(3)8-10;/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,22);1H/t11-,12+;/m1./s1
InChIKeyGSLNPCQHTOBAGN-LYCTWNKOSA-N
MW370.91 g/mol
LogP1.44
Rot. Bonds5

About (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120934850) has the molecular formula C15H23ClN6OS and a molecular weight of 370.91 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120934850
Molecular FormulaC15H23ClN6OS
Molecular Weight370.91 g/mol
Exact Mass370.13
IUPAC Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)c1nnc(CNC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)s1.Cl
InChIInChI=1S/C15H22N6OS.ClH/c1-9(2)15-20-19-13(23-15)7-17-14(22)12-6-16-5-11(12)10-4-18-21(3)8-10;/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,22);1H/t11-,12+;/m1./s1
InChIKeyGSLNPCQHTOBAGN-LYCTWNKOSA-N
XLogP1.44
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.91
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R,4S)-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917904
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]pyrrolidine-3-carboxamide
CID 120940510
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920176
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 120919205
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[1-(5-methyl-1,3-thiazol-2-yl)ethyl]pyrrolidine-3-carboxamide;dihydrochloride
CID 120942677
(3R,4S)-N-[(4-bromophenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120921136
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-phenylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120919125
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(propan-2-ylsulfamoyl)ethyl]pyrrolidine-3-carboxamide
CID 120928992
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]pyrrolidine-3-carboxamide
CID 120933772
(3R,4S)-N-[(2-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120927889

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride (CID 120934850) is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride is CC(C)c1nnc(CNC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)s1.Cl.
What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is GSLNPCQHTOBAGN-LYCTWNKOSA-N. The full InChI is InChI=1S/C15H22N6OS.ClH/c1-9(2)15-20-19-13(23-15)7-17-14(22)12-6-16-5-11(12)10-4-18-21(3)8-10;/h4,8-9,11-12,16H,5-7H2,1-3H3,(H,17,22);1H/t11-,12+;/m1./s1.
What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 370.91 g/mol, XLogP of 1.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120934850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).