N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide

C18H21N5O — CID 95979997

IUPACN-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C18H21N5O/c1-12(2)23-10-9-15(22-23)18(24)20-13(3)17-19-11-16(21-17)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,19,21)(H,20,24)/t13-/m1/s1
InChIKeyRKZNYPXWQKDCFK-CYBMUJFWSA-N
MW323.40 g/mol
LogP3.35
Rot. Bonds5

About N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 95979997) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID95979997
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC NameN-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)[nH]2)n1
InChIInChI=1S/C18H21N5O/c1-12(2)23-10-9-15(22-23)18(24)20-13(3)17-19-11-16(21-17)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,19,21)(H,20,24)/t13-/m1/s1
InChIKeyRKZNYPXWQKDCFK-CYBMUJFWSA-N
XLogP3.35
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
5-methyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 95301132
2-iodo-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084192
2,5-dimethyl-N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 95595238
2,5-dimethyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 56822371
2-methyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]furan-3-carboxamide
CID 47084188
(2R)-2-phenyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]acetic acid
CID 119367836
3-methylsulfonyl-N-[1-(5-phenyl-1H-imidazol-2-yl)ethyl]benzamide
CID 47084197
1-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-3-pyridin-2-ylurea
CID 94825570
N-[(2S,3S)-1-amino-1-oxo-3-phenylbutan-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125143866
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-2-(pyridin-2-ylmethylsulfanyl)acetamide
CID 95287151
(1R)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806747

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 95979997) is N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)N[C@H](C)c2ncc(-c3ccccc3)[nH]2)n1.
What is the InChIKey of N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is RKZNYPXWQKDCFK-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H21N5O/c1-12(2)23-10-9-15(22-23)18(24)20-13(3)17-19-11-16(21-17)14-7-5-4-6-8-14/h4-13H,1-3H3,(H,19,21)(H,20,24)/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 95979997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).