(3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

C18H32ClN5O — CID 120918491

IUPAC(3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCN(C)C1(CNC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)CCCCC1.Cl
InChIInChI=1S/C18H31N5O.ClH/c1-22(2)18(7-5-4-6-8-18)13-20-17(24)16-11-19-10-15(16)14-9-21-23(3)12-14;/h9,12,15-16,19H,4-8,10-11,13H2,1-3H3,(H,20,24);1H/t15-,16+;/m1./s1
InChIKeySWHMPAZUFODYNH-RCPFAERMSA-N
MW369.94 g/mol
LogP1.53
Rot. Bonds5

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

(3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120918491) has the molecular formula C18H32ClN5O and a molecular weight of 369.94 g/mol. Its IUPAC name is (3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120918491
Molecular FormulaC18H32ClN5O
Molecular Weight369.94 g/mol
Exact Mass369.23
IUPAC Name(3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCN(C)C1(CNC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)CCCCC1.Cl
InChIInChI=1S/C18H31N5O.ClH/c1-22(2)18(7-5-4-6-8-18)13-20-17(24)16-11-19-10-15(16)14-9-21-23(3)12-14;/h9,12,15-16,19H,4-8,10-11,13H2,1-3H3,(H,20,24);1H/t15-,16+;/m1./s1
InChIKeySWHMPAZUFODYNH-RCPFAERMSA-N
XLogP1.53
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.94
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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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-(2-methylpropyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936257
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[(1-phenylcyclopentyl)methyl]pyrrolidine-3-carboxamide
CID 120920463
(3R,4S)-N-[(2-hydroxy-1-methylcyclohexyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120934837
(3R,4S)-N-[[1-(2-ethoxyethyl)cyclopentyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936244
(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
N-[[1-(dimethylamino)cyclohexyl]methyl]-4-methylpyrrolidine-3-carboxamide
CID 55231312
(3R,4S)-N-[1-(4-chlorophenyl)cyclohexyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120929712

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120918491) is (3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is CN(C)C1(CNC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)CCCCC1.Cl.
What is the InChIKey of (3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is SWHMPAZUFODYNH-RCPFAERMSA-N. The full InChI is InChI=1S/C18H31N5O.ClH/c1-22(2)18(7-5-4-6-8-18)13-20-17(24)16-11-19-10-15(16)14-9-21-23(3)12-14;/h9,12,15-16,19H,4-8,10-11,13H2,1-3H3,(H,20,24);1H/t15-,16+;/m1./s1.
What are the key properties of (3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 369.94 g/mol, XLogP of 1.53, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[[1-(dimethylamino)cyclohexyl]methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).