N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

C19H23N5O — CID 126827385

IUPACN-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2-c2ncc[nH]2)cnn1CC(C)C
InChIInChI=1S/C19H23N5O/c1-13(2)12-24-14(3)17(11-23-24)19(25)22-10-15-6-4-5-7-16(15)18-20-8-9-21-18/h4-9,11,13H,10,12H2,1-3H3,(H,20,21)(H,22,25)
InChIKeyBJNCYIGNOVYPDA-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.17
Rot. Bonds6

About N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide

N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (PubChem CID 126827385) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
PubChem CID126827385
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC NameN-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2ccccc2-c2ncc[nH]2)cnn1CC(C)C
InChIInChI=1S/C19H23N5O/c1-13(2)12-24-14(3)17(11-23-24)19(25)22-10-15-6-4-5-7-16(15)18-20-8-9-21-18/h4-9,11,13H,10,12H2,1-3H3,(H,20,21)(H,22,25)
InChIKeyBJNCYIGNOVYPDA-UHFFFAOYSA-N
XLogP3.17
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 ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-1-(2-methylpropyl)-N-(4-phenyl-3-pyridinyl)pyrazole-4-carboxamide
CID 122143589
2-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-2-phenylacetic acid
CID 120518043
2-(4-fluorophenoxy)-3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]propanoic acid
CID 120533493
3-cyclopropyl-N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 146144586
N-[(1-benzylimidazol-2-yl)methyl]-1-ethyl-5-methylpyrazole-4-carboxamide
CID 50971928
5-methyl-1-(2-methylpropyl)-N-[(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)methyl]pyrazole-4-carboxamide
CID 122133107
4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]-4-phenylbutanoic acid
CID 120518942
N-[1-(4-chlorophenyl)-2-hydroxyethyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 110004266
methyl 3-[[2-(1H-imidazol-2-yl)phenyl]methylsulfanyl]propanoate
CID 67618421
1-[[2-(1H-imidazol-2-yl)phenyl]methyl]-2-phenylhydrazine
CID 169387021
3-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]-(2-methylpropyl)amino]propanoic acid
CID 120516454
2-methyl-4-[[5-methyl-1-(2-methylpropyl)pyrazole-4-carbonyl]amino]benzoic acid
CID 120526226

Frequently Asked Questions

What is the IUPAC name of N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The IUPAC name of N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide (CID 126827385) is N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is Cc1c(C(=O)NCc2ccccc2-c2ncc[nH]2)cnn1CC(C)C.
What is the InChIKey of N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
The InChIKey is BJNCYIGNOVYPDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-13(2)12-24-14(3)17(11-23-24)19(25)22-10-15-6-4-5-7-16(15)18-20-8-9-21-18/h4-9,11,13H,10,12H2,1-3H3,(H,20,21)(H,22,25).
What are the key properties of N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide?
N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide has a molecular weight of 337.43 g/mol, XLogP of 3.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(1H-imidazol-2-yl)phenyl]methyl]-5-methyl-1-(2-methylpropyl)pyrazole-4-carboxamide is sourced from PubChem (CID 126827385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).