N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

C21H18FN5O2 — CID 19411696

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)[nH]n2)c1
InChIInChI=1S/C21H18FN5O2/c1-29-18-4-2-3-15(9-18)19-10-20(26-25-19)21(28)24-17-11-23-27(13-17)12-14-5-7-16(22)8-6-14/h2-11,13H,12H2,1H3,(H,24,28)(H,25,26)
InChIKeyAZNUNMOHQAEAFV-UHFFFAOYSA-N
MW391.41 g/mol
LogP3.72
Rot. Bonds6

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19411696) has the molecular formula C21H18FN5O2 and a molecular weight of 391.41 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19411696
Molecular FormulaC21H18FN5O2
Molecular Weight391.41 g/mol
Exact Mass391.14
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)[nH]n2)c1
InChIInChI=1S/C21H18FN5O2/c1-29-18-4-2-3-15(9-18)19-10-20(26-25-19)21(28)24-17-11-23-27(13-17)12-14-5-7-16(22)8-6-14/h2-11,13H,12H2,1H3,(H,24,28)(H,25,26)
InChIKeyAZNUNMOHQAEAFV-UHFFFAOYSA-N
XLogP3.72
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.41
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-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-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509626
3-(4-chlorophenyl)-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19509312
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509817
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513661
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-[(4-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19410019
2-methoxy-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
CID 19410106
2,6-dichloro-N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 1225286
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-2,6-dimethoxybenzamide
CID 19336532
3-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464437
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
5-[(2,4-difluorophenoxy)methyl]-N-[1-[(3-methoxyphenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19453236

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19411696) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1cccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(F)cc4)c3)[nH]n2)c1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is AZNUNMOHQAEAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2/c1-29-18-4-2-3-15(9-18)19-10-20(26-25-19)21(28)24-17-11-23-27(13-17)12-14-5-7-16(22)8-6-14/h2-11,13H,12H2,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 391.41 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19411696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).