(3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

C17H24N6O — CID 120933202

IUPAC(3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCn1nc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)cc1C1CC1
InChIInChI=1S/C17H24N6O/c1-3-23-15(11-4-5-11)6-16(21-23)20-17(24)14-9-18-8-13(14)12-7-19-22(2)10-12/h6-7,10-11,13-14,18H,3-5,8-9H2,1-2H3,(H,20,21,24)/t13-,14+/m1/s1
InChIKeyPOKKVXOAFFACQX-KGLIPLIRSA-N
MW328.42 g/mol
LogP1.46
Rot. Bonds5

About (3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide

(3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 120933202) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is (3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID120933202
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name(3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCCn1nc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)cc1C1CC1
InChIInChI=1S/C17H24N6O/c1-3-23-15(11-4-5-11)6-16(21-23)20-17(24)14-9-18-8-13(14)12-7-19-22(2)10-12/h6-7,10-11,13-14,18H,3-5,8-9H2,1-2H3,(H,20,21,24)/t13-,14+/m1/s1
InChIKeyPOKKVXOAFFACQX-KGLIPLIRSA-N
XLogP1.46
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933337
N-(5-cyclopropyl-1-propylpyrazol-3-yl)azetidine-3-carboxamide
CID 142434425
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
(3R,4S)-N-(3,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917484
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917505
(3R,4S)-N-[1-(diethylamino)propan-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120939840
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917504
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120937737
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[4-(propylsulfonylamino)phenyl]pyrrolidine-3-carboxamide
CID 120928327
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 120919205
(3R,4S)-N-(2,5-diethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936893

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 120933202) is (3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is CCn1nc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)cc1C1CC1.
What is the InChIKey of (3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is POKKVXOAFFACQX-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H24N6O/c1-3-23-15(11-4-5-11)6-16(21-23)20-17(24)14-9-18-8-13(14)12-7-19-22(2)10-12/h6-7,10-11,13-14,18H,3-5,8-9H2,1-2H3,(H,20,21,24)/t13-,14+/m1/s1.
What are the key properties of (3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide?
(3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 328.42 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 120933202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).