1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

C21H26N6O — CID 45243408

IUPAC1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)n1cc(CN2CCCC2C(=O)Nc2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C21H26N6O/c1-16(2)27-15-17(13-23-27)14-25-10-4-8-20(25)21(28)24-18-6-3-7-19(12-18)26-11-5-9-22-26/h3,5-7,9,11-13,15-16,20H,4,8,10,14H2,1-2H3,(H,24,28)
InChIKeyKLCRKXNLCKMVHX-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.25
Rot. Bonds6

About 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide

1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (PubChem CID 45243408) has the molecular formula C21H26N6O and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
PubChem CID45243408
Molecular FormulaC21H26N6O
Molecular Weight378.48 g/mol
Exact Mass378.22
IUPAC Name1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
SMILESCC(C)n1cc(CN2CCCC2C(=O)Nc2cccc(-n3cccn3)c2)cn1
InChIInChI=1S/C21H26N6O/c1-16(2)27-15-17(13-23-27)14-25-10-4-8-20(25)21(28)24-18-6-3-7-19(12-18)26-11-5-9-22-26/h3,5-7,9,11-13,15-16,20H,4,8,10,14H2,1-2H3,(H,24,28)
InChIKeyKLCRKXNLCKMVHX-UHFFFAOYSA-N
XLogP3.25
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-(3-pyrazol-1-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2-carboxamide
CID 42292661
(2S)-1-(2,2-dimethylpropyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 25366994
1-(3-methylbut-2-enyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45216712
(2R)-1-(1H-imidazol-2-ylmethyl)-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 51657479
(2S)-1-[(5-methoxy-4-oxopyran-2-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 72838971
1-[(1-ethylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)piperidine-3-carboxamide
CID 45197200
1-[2-(1-methylpyrrol-3-yl)acetyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide
CID 45215654
(2R)-N-(3-pyrazol-1-ylphenyl)-1-[3-(1H-pyrazol-4-yl)propanoyl]pyrrolidine-2-carboxamide
CID 26390979
(2R)-1-[(4-methylphenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 26409028
(2R)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-[4-(1,3-thiazol-4-yl)phenyl]pyrrolidine-2-carboxamide
CID 42192308
(2R)-N-(6-phenoxy-3-pyridinyl)-1-[(1-propan-2-ylpyrazol-4-yl)methyl]piperidine-2-carboxamide
CID 42099019
1-[(3,5-difluorophenyl)methyl]-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 45246019

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide (CID 45243408) is 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is CC(C)n1cc(CN2CCCC2C(=O)Nc2cccc(-n3cccn3)c2)cn1.
What is the InChIKey of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
The InChIKey is KLCRKXNLCKMVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O/c1-16(2)27-15-17(13-23-27)14-25-10-4-8-20(25)21(28)24-18-6-3-7-19(12-18)26-11-5-9-22-26/h3,5-7,9,11-13,15-16,20H,4,8,10,14H2,1-2H3,(H,24,28).
What are the key properties of 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide?
1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-propan-2-ylpyrazol-4-yl)methyl]-N-(3-pyrazol-1-ylphenyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 45243408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).