5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride

C19H27ClN4O — CID 119530361

IUPAC5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnn(-c2ccccc2C)c1C)C1CCNC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-4-11-22(16-9-10-20-12-16)19(24)17-13-21-23(15(17)3)18-8-6-5-7-14(18)2;/h5-8,13,16,20H,4,9-12H2,1-3H3;1H
InChIKeyREQRYLQBRCGQAV-UHFFFAOYSA-N
MW362.91 g/mol
LogP3.13
Rot. Bonds5

About 5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride

5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride (PubChem CID 119530361) has the molecular formula C19H27ClN4O and a molecular weight of 362.91 g/mol. Its IUPAC name is 5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
PubChem CID119530361
Molecular FormulaC19H27ClN4O
Molecular Weight362.91 g/mol
Exact Mass362.19
IUPAC Name5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)c1cnn(-c2ccccc2C)c1C)C1CCNC1.Cl
InChIInChI=1S/C19H26N4O.ClH/c1-4-11-22(16-9-10-20-12-16)19(24)17-13-21-23(15(17)3)18-8-6-5-7-14(18)2;/h5-8,13,16,20H,4,9-12H2,1-3H3;1H
InChIKeyREQRYLQBRCGQAV-UHFFFAOYSA-N
XLogP3.13
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.91
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 119823592
5-methyl-1-phenyl-N-piperidin-4-yl-N-propylpyrazole-4-carboxamide;hydrochloride
CID 119825262
5-methyl-N-propyl-N-pyrrolidin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119532120
2,5-dimethyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 60805843
2-bromo-5-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 81112056
2-cyclopentyl-N-propyl-N-[(3S)-pyrrolidin-3-yl]benzamide
CID 68918145
4-bromo-2-methyl-N-propyl-N-pyrrolidin-3-ylbenzamide
CID 63300963
N-propyl-N-pyrrolidin-3-yl-1-benzothiophene-3-carboxamide;hydrochloride
CID 119531656
N-cyclopentyl-5-methyl-1-(2-methylphenyl)-N-propan-2-ylpyrazole-4-carboxamide
CID 56516891
2-oxo-N-propyl-N-pyrrolidin-3-yl-1H-quinoline-4-carboxamide
CID 119531545
5-methyl-1-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 119510623
5-methyl-N-piperidin-4-yl-N-propylpyrazolo[1,5-a]pyrimidine-3-carboxamide;hydrochloride
CID 119824619

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The IUPAC name of 5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride (CID 119530361) is 5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride.
What is the SMILES notation for 5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The canonical SMILES for 5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride is CCCN(C(=O)c1cnn(-c2ccccc2C)c1C)C1CCNC1.Cl.
What is the InChIKey of 5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
The InChIKey is REQRYLQBRCGQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O.ClH/c1-4-11-22(16-9-10-20-12-16)19(24)17-13-21-23(15(17)3)18-8-6-5-7-14(18)2;/h5-8,13,16,20H,4,9-12H2,1-3H3;1H.
What are the key properties of 5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride?
5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride has a molecular weight of 362.91 g/mol, XLogP of 3.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-methylphenyl)-N-propyl-N-pyrrolidin-3-ylpyrazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 119530361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).