(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide

C12H20N4O — CID 120917720

IUPAC(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C12H20N4O/c1-3-4-14-12(17)11-7-13-6-10(11)9-5-15-16(2)8-9/h5,8,10-11,13H,3-4,6-7H2,1-2H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyIPEWCHRPLWGWTJ-MNOVXSKESA-N
MW236.32 g/mol
LogP0.25
Rot. Bonds4

About (3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide (PubChem CID 120917720) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
PubChem CID120917720
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
SMILESCCCNC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1
InChIInChI=1S/C12H20N4O/c1-3-4-14-12(17)11-7-13-6-10(11)9-5-15-16(2)8-9/h5,8,10-11,13H,3-4,6-7H2,1-2H3,(H,14,17)/t10-,11+/m1/s1
InChIKeyIPEWCHRPLWGWTJ-MNOVXSKESA-N
XLogP0.25
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-N-[2-(3,5-dimethylphenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120934638
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-propylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 120937441
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
(3R,4S)-N-[(1-ethylcyclopentyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936251
(3R,4S)-N-(2-ethyl-2-methylsulfanylbutyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120935905
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(propan-2-ylsulfamoyl)ethyl]pyrrolidine-3-carboxamide
CID 120928992
(3R,4S)-N-[2-(5-ethyl-1,3-thiazol-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120942521
(3R,4S)-N-[2-(4-methoxyphenoxy)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919955
(3R,4S)-N-[2-(3,5-dimethylphenoxy)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120927468
(3R,4S)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120941897
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(4-propoxyphenyl)methyl]pyrrolidine-3-carboxamide
CID 120922967
(3R,4S)-N-[2-(5-chlorothiophen-2-yl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925968

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide?
The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide (CID 120917720) is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide.
What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide?
The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide is CCCNC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.
What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide?
The InChIKey is IPEWCHRPLWGWTJ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H20N4O/c1-3-4-14-12(17)11-7-13-6-10(11)9-5-15-16(2)8-9/h5,8,10-11,13H,3-4,6-7H2,1-2H3,(H,14,17)/t10-,11+/m1/s1.
What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide?
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide has a molecular weight of 236.32 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide is sourced from PubChem (CID 120917720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).