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

C19H23N5O — CID 78901705

IUPAC5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)n[nH]1
InChIInChI=1S/C19H23N5O/c1-4-15-11-17(23-22-15)19(25)21-16-7-5-6-14(10-16)12-24-9-8-20-18(24)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyPNFMBGSLFHSRFB-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.59
Rot. Bonds6

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

5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide (PubChem CID 78901705) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide
PubChem CID78901705
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)n[nH]1
InChIInChI=1S/C19H23N5O/c1-4-15-11-17(23-22-15)19(25)21-16-7-5-6-14(10-16)12-24-9-8-20-18(24)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,25)(H,22,23)
InChIKeyPNFMBGSLFHSRFB-UHFFFAOYSA-N
XLogP3.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859713
1-tert-butyl-5-propan-2-yl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pyrazole-3-carboxamide
CID 55859731
N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]naphthalene-1-carboxamide
CID 55858949
2-(methylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 120703872
(2R)-2-amino-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide;dihydrochloride
CID 119855817
3-(4-fluorophenyl)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]propanamide
CID 55858307
2,3-dimethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]quinoxaline-6-carboxamide
CID 55857928
2-nitro-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]benzamide
CID 55859459
(2S)-2-amino-4-methyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]pentanamide
CID 119855852
1-methyl-6-oxo-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 47059179
2-cyclopentyloxy-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide
CID 47059184
2-(2-methoxyethylamino)-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]acetamide;dihydrochloride
CID 119855845

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide (CID 78901705) is 5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide is CCc1cc(C(=O)Nc2cccc(Cn3ccnc3C(C)C)c2)n[nH]1.
What is the InChIKey of 5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide?
The InChIKey is PNFMBGSLFHSRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-15-11-17(23-22-15)19(25)21-16-7-5-6-14(10-16)12-24-9-8-20-18(24)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,21,25)(H,22,23).
What are the key properties of 5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide?
5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[3-[(2-propan-2-ylimidazol-1-yl)methyl]phenyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 78901705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).