(3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

C17H25ClN6O — CID 120918896

IUPAC(3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C1CC1)n1nccc1NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl
InChIInChI=1S/C17H24N6O.ClH/c1-11(12-3-4-12)23-16(5-6-19-23)21-17(24)15-9-18-8-14(15)13-7-20-22(2)10-13;/h5-7,10-12,14-15,18H,3-4,8-9H2,1-2H3,(H,21,24);1H/t11?,14-,15+;/m1./s1
InChIKeyPVAVPICPBNMMGJ-NLOJYNSPSA-N
MW364.88 g/mol
LogP1.95
Rot. Bonds5

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

(3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120918896) has the molecular formula C17H25ClN6O and a molecular weight of 364.88 g/mol. Its IUPAC name is (3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120918896
Molecular FormulaC17H25ClN6O
Molecular Weight364.88 g/mol
Exact Mass364.18
IUPAC Name(3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCC(C1CC1)n1nccc1NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl
InChIInChI=1S/C17H24N6O.ClH/c1-11(12-3-4-12)23-16(5-6-19-23)21-17(24)15-9-18-8-14(15)13-7-20-22(2)10-13;/h5-7,10-12,14-15,18H,3-4,8-9H2,1-2H3,(H,21,24);1H/t11?,14-,15+;/m1./s1
InChIKeyPVAVPICPBNMMGJ-NLOJYNSPSA-N
XLogP1.95
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.88
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride with MolForge

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Launch Full Analysis

Related Compounds

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-propan-2-ylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 120936219
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 119269137
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920176
(3R,4S)-N-[cyclopropyl(phenyl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920520
(3R,4S)-N-[4-(3-methylbutanoylamino)phenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120921302
(3R,4S)-N-(3,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917484
(3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933337
(3R,4S)-N-[1-(4-bromophenyl)ethyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120928224
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 120921427
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917504
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylphenyl)pyrrolidine-3-carboxamide
CID 120917621
(3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120918896) is (3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is CC(C1CC1)n1nccc1NC(=O)[C@H]1CNC[C@@H]1c1cnn(C)c1.Cl.
What is the InChIKey of (3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is PVAVPICPBNMMGJ-NLOJYNSPSA-N. The full InChI is InChI=1S/C17H24N6O.ClH/c1-11(12-3-4-12)23-16(5-6-19-23)21-17(24)15-9-18-8-14(15)13-7-20-22(2)10-13;/h5-7,10-12,14-15,18H,3-4,8-9H2,1-2H3,(H,21,24);1H/t11?,14-,15+;/m1./s1.
What are the key properties of (3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 364.88 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120918896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).