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

C19H33ClN4O — CID 120936257

IUPAC(3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)CC1(CNC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)CCCC1.Cl
InChIInChI=1S/C19H32N4O.ClH/c1-14(2)8-19(6-4-5-7-19)13-21-18(24)17-11-20-10-16(17)15-9-22-23(3)12-15;/h9,12,14,16-17,20H,4-8,10-11,13H2,1-3H3,(H,21,24);1H/t16-,17+;/m1./s1
InChIKeyGNYMPGIGZJBOIE-PPPUBMIESA-N
MW368.95 g/mol
LogP2.87
Rot. Bonds6

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

(3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120936257) has the molecular formula C19H33ClN4O and a molecular weight of 368.95 g/mol. Its IUPAC name is (3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120936257
Molecular FormulaC19H33ClN4O
Molecular Weight368.95 g/mol
Exact Mass368.23
IUPAC Name(3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C)CC1(CNC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)CCCC1.Cl
InChIInChI=1S/C19H32N4O.ClH/c1-14(2)8-19(6-4-5-7-19)13-21-18(24)17-11-20-10-16(17)15-9-22-23(3)12-15;/h9,12,14,16-17,20H,4-8,10-11,13H2,1-3H3,(H,21,24);1H/t16-,17+;/m1./s1
InChIKeyGNYMPGIGZJBOIE-PPPUBMIESA-N
XLogP2.87
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-N-[(1-ethylcyclopentyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936251
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-propylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 120937441
(3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918491
(3R,4S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936244
(3R,4S)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120934837
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclopentyl)methyl]pyrrolidine-3-carboxamide
CID 120920463
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclobutyl)methyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120920625
(3R,4S)-N-[[1-(4-methylphenyl)sulfanylcyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120937195
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
(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-(2-phenylpropyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120919125

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120936257) is (3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is CC(C)CC1(CNC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)CCCC1.Cl.
What is the InChIKey of (3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is GNYMPGIGZJBOIE-PPPUBMIESA-N. The full InChI is InChI=1S/C19H32N4O.ClH/c1-14(2)8-19(6-4-5-7-19)13-21-18(24)17-11-20-10-16(17)15-9-22-23(3)12-15;/h9,12,14,16-17,20H,4-8,10-11,13H2,1-3H3,(H,21,24);1H/t16-,17+;/m1./s1.
What are the key properties of (3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 2.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[[1-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120936257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).