5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide

C15H18N4O — CID 110484336

IUPAC5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ccccc3)C2)n[nH]1
InChIInChI=1S/C15H18N4O/c1-11-9-14(18-17-11)15(20)16-12-7-8-19(10-12)13-5-3-2-4-6-13/h2-6,9,12H,7-8,10H2,1H3,(H,16,20)(H,17,18)
InChIKeyANMIYQOEOUJDTL-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.73
Rot. Bonds3

About 5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide

5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide (PubChem CID 110484336) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
PubChem CID110484336
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3ccccc3)C2)n[nH]1
InChIInChI=1S/C15H18N4O/c1-11-9-14(18-17-11)15(20)16-12-7-8-19(10-12)13-5-3-2-4-6-13/h2-6,9,12H,7-8,10H2,1H3,(H,16,20)(H,17,18)
InChIKeyANMIYQOEOUJDTL-UHFFFAOYSA-N
XLogP1.73
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,3-dihydro-1H-inden-2-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 90967948
6-oxo-N-(1-phenylpiperidin-4-yl)-1H-pyridazine-3-carboxamide
CID 110745882
N-cyclobutyl-5-methyl-1H-pyrazole-3-carboxamide
CID 126857183
N-cyclooctyl-5-methyl-1H-pyrazole-3-carboxamide
CID 47109350
1-cyclopropyl-3-[(3S)-1-phenylpyrrolidin-3-yl]urea
CID 95312527
1,1-dimethyl-3-(1-phenylpyrrolidin-3-yl)urea
CID 110459954
5-methyl-N-[1-(1-methylpiperidin-4-yl)piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 45233020
2-methyl-N-[1-(5-methyl-1H-pyrazole-3-carbonyl)piperidin-4-yl]benzamide
CID 136577969
5-methyl-N-(1-phenylpiperidin-4-yl)-3-propan-2-yl-1H-pyrazole-4-carboxamide
CID 154737352
N-(1-phenylpyrrolidin-3-yl)thiophene-2-carboxamide
CID 110461992
N-(8-azabicyclo[3.2.1]octan-3-yl)-5-methyl-1H-pyrazole-3-carboxamide;hydrochloride
CID 119456298
[(3R)-1-phenylpiperidin-3-yl]carbamic acid
CID 89499357

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide (CID 110484336) is 5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NC2CCN(c3ccccc3)C2)n[nH]1.
What is the InChIKey of 5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is ANMIYQOEOUJDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-11-9-14(18-17-11)15(20)16-12-7-8-19(10-12)13-5-3-2-4-6-13/h2-6,9,12H,7-8,10H2,1H3,(H,16,20)(H,17,18).
What are the key properties of 5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide?
5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 1.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(1-phenylpyrrolidin-3-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 110484336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).