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

C21H18ClN5O2 — CID 19508875

IUPACN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccn(Cc4cccc(Cl)c4)n3)[nH]n2)cc1
InChIInChI=1S/C21H18ClN5O2/c1-29-17-7-5-15(6-8-17)18-12-19(25-24-18)21(28)23-20-9-10-27(26-20)13-14-3-2-4-16(22)11-14/h2-12H,13H2,1H3,(H,24,25)(H,23,26,28)
InChIKeyXKFBEPXZZJYTSV-UHFFFAOYSA-N
MW407.86 g/mol
LogP4.24
Rot. Bonds6

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

N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19508875) has the molecular formula C21H18ClN5O2 and a molecular weight of 407.86 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19508875
Molecular FormulaC21H18ClN5O2
Molecular Weight407.86 g/mol
Exact Mass407.11
IUPAC NameN-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3ccn(Cc4cccc(Cl)c4)n3)[nH]n2)cc1
InChIInChI=1S/C21H18ClN5O2/c1-29-17-7-5-15(6-8-17)18-12-19(25-24-18)21(28)23-20-9-10-27(26-20)13-14-3-2-4-16(22)11-14/h2-12H,13H2,1H3,(H,24,25)(H,23,26,28)
InChIKeyXKFBEPXZZJYTSV-UHFFFAOYSA-N
XLogP4.24
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.86
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-chlorophenyl)-N-[1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19399053
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2,4-dimethoxybenzamide
CID 19403231
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508873
4-methoxy-N-[1-[(3-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19400896
3-(2,4-dichlorophenyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
CID 19284710
4,5-dibromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-3-carboxamide
CID 19508570
4-bromo-N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19403078
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19403141
3-(4-methoxyphenyl)-N-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 19508813
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-2-(2-methylphenoxy)acetamide
CID 19403248
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-[(4-ethylphenoxy)methyl]benzamide
CID 19403127
3-N-[1-[(4-methoxyphenyl)methyl]pyrazol-3-yl]benzene-1,3-dicarboxamide
CID 136533551

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19508875) is N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3ccn(Cc4cccc(Cl)c4)n3)[nH]n2)cc1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is XKFBEPXZZJYTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN5O2/c1-29-17-7-5-15(6-8-17)18-12-19(25-24-18)21(28)23-20-9-10-27(26-20)13-14-3-2-4-16(22)11-14/h2-12H,13H2,1H3,(H,24,25)(H,23,26,28).
What are the key properties of N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 407.86 g/mol, XLogP of 4.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19508875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).