N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide

C19H16N6O — CID 38772539

IUPACN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H16N6O/c26-19(16-12-23-25(13-16)17-4-2-1-3-5-17)22-11-15-6-7-18(21-10-15)24-9-8-20-14-24/h1-10,12-14H,11H2,(H,22,26)
InChIKeyQPQOKOIHONRAKC-UHFFFAOYSA-N
MW344.38 g/mol
LogP2.38
Rot. Bonds5

About N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide

N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 38772539) has the molecular formula C19H16N6O and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID38772539
Molecular FormulaC19H16N6O
Molecular Weight344.38 g/mol
Exact Mass344.14
IUPAC NameN-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESO=C(NCc1ccc(-n2ccnc2)nc1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H16N6O/c26-19(16-12-23-25(13-16)17-4-2-1-3-5-17)22-11-15-6-7-18(21-10-15)24-9-8-20-14-24/h1-10,12-14H,11H2,(H,22,26)
InChIKeyQPQOKOIHONRAKC-UHFFFAOYSA-N
XLogP2.38
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylethyl)urea
CID 36507075
1-phenyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 18132485
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(3-phenylpropyl)urea
CID 36509052
1-[(4-fluorophenyl)methyl]-3-[(6-imidazol-1-yl-3-pyridinyl)methyl]urea
CID 38205199
(2S)-2-[ethyl(methyl)amino]-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-phenylacetamide
CID 95278008
2-imidazol-1-yl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 51085856
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-isocyanoacetamide
CID 164823089
N-(2-benzyl-3-hydroxypropyl)-6-imidazol-1-ylpyridine-3-carboxamide
CID 146088860
N-(naphthalen-1-ylmethyl)-1-phenylpyrazole-4-carboxamide
CID 78851836
1-[(6-imidazol-1-yl-3-pyridinyl)methyl]-3-(2-phenylbutan-2-yl)urea
CID 56783628
3-benzoyl-N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1,3-thiazolidine-4-carboxamide
CID 55608747
N-[(1-phenylpyrazol-4-yl)methyl]-4-pyrazol-1-ylbenzamide
CID 17483211

Frequently Asked Questions

What is the IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide (CID 38772539) is N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide is O=C(NCc1ccc(-n2ccnc2)nc1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is QPQOKOIHONRAKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O/c26-19(16-12-23-25(13-16)17-4-2-1-3-5-17)22-11-15-6-7-18(21-10-15)24-9-8-20-14-24/h1-10,12-14H,11H2,(H,22,26).
What are the key properties of N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide?
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 344.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 38772539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).