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

C19H33ClN4O — CID 120927479

IUPAC(3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCN(CC1CCCCC1)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl
InChIInChI=1S/C19H32N4O.ClH/c1-3-9-23(13-15-7-5-4-6-8-15)19(24)18-12-20-11-17(18)16-10-21-22(2)14-16;/h10,14-15,17-18,20H,3-9,11-13H2,1-2H3;1H/t17-,18+;/m1./s1
InChIKeyXHBQTDUYRDFARJ-URBRKQAFSA-N
MW368.95 g/mol
LogP2.96
Rot. Bonds6

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

(3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120927479) has the molecular formula C19H33ClN4O and a molecular weight of 368.95 g/mol. Its IUPAC name is (3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride
PubChem CID120927479
Molecular FormulaC19H33ClN4O
Molecular Weight368.95 g/mol
Exact Mass368.23
IUPAC Name(3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride
SMILESCCCN(CC1CCCCC1)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl
InChIInChI=1S/C19H32N4O.ClH/c1-3-9-23(13-15-7-5-4-6-8-15)19(24)18-12-20-11-17(18)16-10-21-22(2)14-16;/h10,14-15,17-18,20H,3-9,11-13H2,1-2H3;1H/t17-,18+;/m1./s1
InChIKeyXHBQTDUYRDFARJ-URBRKQAFSA-N
XLogP2.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.95
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-[(dimethylamino)methyl]piperidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120939318
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120935945
(3R,4S)-N-[(2-chloro-6-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride
CID 120924896
(3R,4S)-N,N-dibenzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120916882
[3-[[cyclopropylmethyl(methyl)amino]methyl]pyrrolidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120942582
[3-(diethylaminomethyl)pyrrolidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;dihydrochloride
CID 120942418
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
[2-(cyclohexylmethyl)pyrrolidin-1-yl]-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone
CID 120928740
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
(3R,4S)-N-ethyl-4-(1-methylpyrazol-4-yl)-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120916947
(3R,4S)-N-[2-(dimethylamino)-2-oxoethyl]-N-(2-methoxyethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120925181
(3R,4S)-N-(3-ethylcyclohexyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933798

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride (CID 120927479) is (3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride is CCCN(CC1CCCCC1)C(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl.
What is the InChIKey of (3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is XHBQTDUYRDFARJ-URBRKQAFSA-N. The full InChI is InChI=1S/C19H32N4O.ClH/c1-3-9-23(13-15-7-5-4-6-8-15)19(24)18-12-20-11-17(18)16-10-21-22(2)14-16;/h10,14-15,17-18,20H,3-9,11-13H2,1-2H3;1H/t17-,18+;/m1./s1.
What are the key properties of (3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 368.95 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(cyclohexylmethyl)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120927479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).