N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide

C15H15N5O — CID 99974325

IUPACN-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc[nH]1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H15N5O/c1-11(19-15(21)14-8-16-10-17-14)12-7-18-20(9-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)(H,19,21)/t11-/m1/s1
InChIKeyQZHUNRXJFPZYHH-LLVKDONJSA-N
MW281.32 g/mol
LogP2.09
Rot. Bonds4

About N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide

N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide (PubChem CID 99974325) has the molecular formula C15H15N5O and a molecular weight of 281.32 g/mol. Its IUPAC name is N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
PubChem CID99974325
Molecular FormulaC15H15N5O
Molecular Weight281.32 g/mol
Exact Mass281.13
IUPAC NameN-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide
SMILESC[C@@H](NC(=O)c1cnc[nH]1)c1cnn(-c2ccccc2)c1
InChIInChI=1S/C15H15N5O/c1-11(19-15(21)14-8-16-10-17-14)12-7-18-20(9-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)(H,19,21)/t11-/m1/s1
InChIKeyQZHUNRXJFPZYHH-LLVKDONJSA-N
XLogP2.09
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
1-phenyl-N-[(1S)-1-phenylethyl]pyrazole-4-carboxamide
CID 27660239
1-phenyl-N-[(1S)-1-pyridin-4-ylethyl]pyrazole-4-carboxamide
CID 25343900
3-methyl-N-[1-(1-phenylpyrazol-4-yl)ethyl]butan-2-amine
CID 81300600
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
2-[1-(1-phenylpyrazol-4-yl)ethylamino]acetamide
CID 81470640
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 92538494
3-(methylamino)-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 65236429
N-[(R)-cyano-(1-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 95237324
2-[1-(1-phenylpyrazol-4-yl)ethylamino]ethanol
CID 81302041
(3S)-3-acetamido-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 63650204

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide?
The IUPAC name of N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide (CID 99974325) is N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide.
What is the SMILES notation for N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide?
The canonical SMILES for N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide is C[C@@H](NC(=O)c1cnc[nH]1)c1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide?
The InChIKey is QZHUNRXJFPZYHH-LLVKDONJSA-N. The full InChI is InChI=1S/C15H15N5O/c1-11(19-15(21)14-8-16-10-17-14)12-7-18-20(9-12)13-5-3-2-4-6-13/h2-11H,1H3,(H,16,17)(H,19,21)/t11-/m1/s1.
What are the key properties of N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide?
N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide has a molecular weight of 281.32 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(1-phenylpyrazol-4-yl)ethyl]-1H-imidazole-5-carboxamide is sourced from PubChem (CID 99974325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).