N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

C17H22N4O — CID 57383897

IUPACN-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN1CCCC1CCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H22N4O/c1-21-11-5-8-14(21)9-10-18-17(22)16-12-15(19-20-16)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,22)(H,19,20)
InChIKeyWEUCPAKVVFJLLF-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.29
Rot. Bonds5

About N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 57383897) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID57383897
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC NameN-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN1CCCC1CCNC(=O)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C17H22N4O/c1-21-11-5-8-14(21)9-10-18-17(22)16-12-15(19-20-16)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,22)(H,19,20)
InChIKeyWEUCPAKVVFJLLF-UHFFFAOYSA-N
XLogP2.29
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Isopropyl-N'-(3-phenyl-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 1606508
N-methyl-3-phenyl-1H-pyrazole-5-carboxamide
CID 18870913
US10022354, Example 5
CID 121279569
US10022354, Example 61
CID 121279700
US10022354, Example 183
CID 121279732
N-cyclopentyl-1H-indazole-3-carboxamide
CID 2563801
3-phenyl-1H-pyrazole-5-carbohydrazide
CID 727014
Ab-chfupyca
CID 122213879
3-tert-butyl-N-[(2S)-1-[[cyano(methyl)amino]-methylamino]-1-oxo-3-phenylpropan-2-yl]-1-methylpyrazole-5-carboxamide
CID 145964832
3-(4-fluorophenyl)-N-[[4-(hydroxycarbamoyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 145970598
5-cyclopropyl-N-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-pyrazole-3-carboxamide
CID 6888929
5-cyclopropyl-N-(1-phenylpropylideneamino)-1H-pyrazole-3-carboxamide
CID 9616968

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 57383897) is N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide is CN1CCCC1CCNC(=O)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is WEUCPAKVVFJLLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-21-11-5-8-14(21)9-10-18-17(22)16-12-15(19-20-16)13-6-3-2-4-7-13/h2-4,6-7,12,14H,5,8-11H2,1H3,(H,18,22)(H,19,20).
What are the key properties of N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 298.39 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 57383897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).