1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide

C22H26FN5O — CID 139001128

IUPAC1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2cnn(C3CCCCC3)c2C)cc1F
InChIInChI=1S/C22H26FN5O/c1-15-19(14-26-28(15)18-6-4-3-5-7-18)22(29)25-13-17-8-9-21(20(23)12-17)27-11-10-24-16(27)2/h8-12,14,18H,3-7,13H2,1-2H3,(H,25,29)
InChIKeySHPUKFSYDVUERC-UHFFFAOYSA-N
MW395.48 g/mol
LogP4.26
Rot. Bonds5

About 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide

1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide (PubChem CID 139001128) has the molecular formula C22H26FN5O and a molecular weight of 395.48 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide
PubChem CID139001128
Molecular FormulaC22H26FN5O
Molecular Weight395.48 g/mol
Exact Mass395.21
IUPAC Name1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide
SMILESCc1nccn1-c1ccc(CNC(=O)c2cnn(C3CCCCC3)c2C)cc1F
InChIInChI=1S/C22H26FN5O/c1-15-19(14-26-28(15)18-6-4-3-5-7-18)22(29)25-13-17-8-9-21(20(23)12-17)27-11-10-24-16(27)2/h8-12,14,18H,3-7,13H2,1-2H3,(H,25,29)
InChIKeySHPUKFSYDVUERC-UHFFFAOYSA-N
XLogP4.26
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.48
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-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-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2,3,4-trimethoxybenzamide
CID 47738339
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide
CID 119863331
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxynaphthalene-2-carboxamide
CID 60584922
1-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119863330
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-3-hydroxypiperidine-1-carboxamide
CID 47768178
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]cyclopropanamine
CID 43282179
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-(4-sulfamoylphenyl)acetamide
CID 56512613
3,4,5,6-tetrachloro-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 71885785
4-fluoro-N-[2-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 47933313
(1R,2S,3S,4R)-3-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methylcarbamoyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
CID 98473537
N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 47738642
3-amino-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-2-methylbutanamide
CID 120503327

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide (CID 139001128) is 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide is Cc1nccn1-c1ccc(CNC(=O)c2cnn(C3CCCCC3)c2C)cc1F.
What is the InChIKey of 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is SHPUKFSYDVUERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN5O/c1-15-19(14-26-28(15)18-6-4-3-5-7-18)22(29)25-13-17-8-9-21(20(23)12-17)27-11-10-24-16(27)2/h8-12,14,18H,3-7,13H2,1-2H3,(H,25,29).
What are the key properties of 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide?
1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 395.48 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[3-fluoro-4-(2-methylimidazol-1-yl)phenyl]methyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139001128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).