(3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

C15H23ClN6O — CID 120933337

IUPAC(3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCc1cc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)n(C)n1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-4-11-5-14(21(3)19-11)18-15(22)13-8-16-7-12(13)10-6-17-20(2)9-10;/h5-6,9,12-13,16H,4,7-8H2,1-3H3,(H,18,22);1H/t12-,13+;/m1./s1
InChIKeyNGZYQUDBFYNALG-KZCZEQIWSA-N
MW338.84 g/mol
LogP1.08
Rot. Bonds4

About (3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride

(3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (PubChem CID 120933337) has the molecular formula C15H23ClN6O and a molecular weight of 338.84 g/mol. Its IUPAC name is (3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
PubChem CID120933337
Molecular FormulaC15H23ClN6O
Molecular Weight338.84 g/mol
Exact Mass338.16
IUPAC Name(3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
SMILESCCc1cc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)n(C)n1.Cl
InChIInChI=1S/C15H22N6O.ClH/c1-4-11-5-14(21(3)19-11)18-15(22)13-8-16-7-12(13)10-6-17-20(2)9-10;/h5-6,9,12-13,16H,4,7-8H2,1-3H3,(H,18,22);1H/t12-,13+;/m1./s1
InChIKeyNGZYQUDBFYNALG-KZCZEQIWSA-N
XLogP1.08
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.84
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917504
(3R,4S)-N-(4-ethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917505
(3R,4S)-N-(2,5-diethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120936893
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-propylpyrrolidine-3-carboxamide
CID 120917720
(3R,4S)-N-(3,5-dimethylphenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917484
(3R,4S)-N-(cyclopropylmethyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120920996
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 120919205
(3R,4S)-N-(5-cyclopropyl-1-ethylpyrazol-3-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120933202
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120918020
(3R,4S)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120917996
(3R,4S)-N-(3-acetamidophenyl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 120917163
(3R,4S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933209

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride (CID 120933337) is (3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is CCc1cc(NC(=O)[C@H]2CNC[C@@H]2c2cnn(C)c2)n(C)n1.Cl.
What is the InChIKey of (3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
The InChIKey is NGZYQUDBFYNALG-KZCZEQIWSA-N. The full InChI is InChI=1S/C15H22N6O.ClH/c1-4-11-5-14(21(3)19-11)18-15(22)13-8-16-7-12(13)10-6-17-20(2)9-10;/h5-6,9,12-13,16H,4,7-8H2,1-3H3,(H,18,22);1H/t12-,13+;/m1./s1.
What are the key properties of (3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride?
(3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride has a molecular weight of 338.84 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-N-(3-ethyl-1-methylpyrazol-5-yl)-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 120933337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).