(3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

C21H27ClN4O — CID 120926876

IUPAC(3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)N(C2CC2)C2CCc3ccccc32)cn1
InChIInChI=1S/C21H26N4O.ClH/c1-24-13-15(10-23-24)18-11-22-12-19(18)21(26)25(16-7-8-16)20-9-6-14-4-2-3-5-17(14)20;/h2-5,10,13,16,18-20,22H,6-9,11-12H2,1H3;1H/t18-,19+,20?;/m1./s1
InChIKeyYRMAQKHMXYTVND-YKIGDRMUSA-N
MW386.93 g/mol
LogP2.82
Rot. Bonds4

About (3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120926876) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is (3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120926876
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC Name(3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCl.Cn1cc([C@H]2CNC[C@@H]2C(=O)N(C2CC2)C2CCc3ccccc32)cn1
InChIInChI=1S/C21H26N4O.ClH/c1-24-13-15(10-23-24)18-11-22-12-19(18)21(26)25(16-7-8-16)20-9-6-14-4-2-3-5-17(14)20;/h2-5,10,13,16,18-20,22H,6-9,11-12H2,1H3;1H/t18-,19+,20?;/m1./s1
InChIKeyYRMAQKHMXYTVND-YKIGDRMUSA-N
XLogP2.82
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dihydroisoindol-2-yl-[(3R,4S)-4-(1-methylpyrazol-4-yl)pyrrolidin-3-yl]methanone;hydrochloride
CID 120931629
(3R,4S)-N-ethyl-4-(1-methylpyrazol-4-yl)-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120916947
(3R,4S)-N-(3,4-dihydro-1H-isothiochromen-1-ylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120935716
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)-N-phenylpyrrolidine-3-carboxamide;hydrochloride
CID 120935945
(3R,4S)-N-cyclopropyl-4-(1-methylpyrazol-4-yl)-N-(thiophen-2-ylmethyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120923060
(3R,4S)-N,N-dibenzyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120916882
(3S,4R)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 166335762
(3R,4S)-N-(2,3-dihydro-1H-inden-2-ylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933282
(3R,4S)-N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120919863
(3R,4S)-N-ethyl-N-[(2-methylphenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120924085
(3R,4S)-N-[(2-fluorophenyl)methyl]-N-methyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918484
(3R,4S)-N-methyl-N-(4-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120921655

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120926876) is (3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is Cl.Cn1cc([C@H]2CNC[C@@H]2C(=O)N(C2CC2)C2CCc3ccccc32)cn1.
What is the InChIKey of (3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is YRMAQKHMXYTVND-YKIGDRMUSA-N. The full InChI is InChI=1S/C21H26N4O.ClH/c1-24-13-15(10-23-24)18-11-22-12-19(18)21(26)25(16-7-8-16)20-9-6-14-4-2-3-5-17(14)20;/h2-5,10,13,16,18-20,22H,6-9,11-12H2,1H3;1H/t18-,19+,20?;/m1./s1.
What are the key properties of (3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 386.93 g/mol, XLogP of 2.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-cyclopropyl-N-(2,3-dihydro-1H-inden-1-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120926876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).