(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride

C15H21Cl2N5O — CID 120937737

IUPAC(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)nc1.Cl.Cl
InChIInChI=1S/C15H19N5O.2ClH/c1-10-3-4-14(17-5-10)19-15(21)13-8-16-7-12(13)11-6-18-20(2)9-11;;/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,17,19,21);2*1H/t12-,13+;;/m1../s1
InChIKeyQILNLNVWKXWZSR-VAALMUBNSA-N
MW358.27 g/mol
LogP1.91
Rot. Bonds3

About (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride

(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride (PubChem CID 120937737) has the molecular formula C15H21Cl2N5O and a molecular weight of 358.27 g/mol. Its IUPAC name is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride
PubChem CID120937737
Molecular FormulaC15H21Cl2N5O
Molecular Weight358.27 g/mol
Exact Mass357.11
IUPAC Name(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride
SMILESCc1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)nc1.Cl.Cl
InChIInChI=1S/C15H19N5O.2ClH/c1-10-3-4-14(17-5-10)19-15(21)13-8-16-7-12(13)11-6-18-20(2)9-11;;/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,17,19,21);2*1H/t12-,13+;;/m1../s1
InChIKeyQILNLNVWKXWZSR-VAALMUBNSA-N
XLogP1.91
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-N-(2-fluoro-4-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917667
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918020
(3R,4S)-N-(3,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917484
(3R,4S)-N-[2-[(dimethylamino)methyl]-4-methylphenyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;dihydrochloride
CID 120941891
(3R,4S)-N-(2-methoxy-5-methylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917529
(3R,4S)-N-(3-hydroxy-2-pyridinyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120943030
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917504
(3R,4S)-N-cyclobutyl-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120924751
(3R,4S)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917566
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917505
(3R,4S)-N-(3-acetamidophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917163
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 120917398

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride?
The IUPAC name of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride (CID 120937737) is (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride?
The canonical SMILES for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride is Cc1ccc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)nc1.Cl.Cl.
What is the InChIKey of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride?
The InChIKey is QILNLNVWKXWZSR-VAALMUBNSA-N. The full InChI is InChI=1S/C15H19N5O.2ClH/c1-10-3-4-14(17-5-10)19-15(21)13-8-16-7-12(13)11-6-18-20(2)9-11;;/h3-6,9,12-13,16H,7-8H2,1-2H3,(H,17,19,21);2*1H/t12-,13+;;/m1../s1.
What are the key properties of (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride?
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride has a molecular weight of 358.27 g/mol, XLogP of 1.91, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120937737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).