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

C21H17ClFN5O2 — CID 19508873

IUPACN-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nn(Cc4cccc(F)c4)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C21H17ClFN5O2/c1-30-16-7-5-14(6-8-16)18-10-19(26-25-18)21(29)24-20-17(22)12-28(27-20)11-13-3-2-4-15(23)9-13/h2-10,12H,11H2,1H3,(H,25,26)(H,24,27,29)
InChIKeyRBGMBCVGGABQIK-UHFFFAOYSA-N
MW425.85 g/mol
LogP4.37
Rot. Bonds6

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

N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 19508873) has the molecular formula C21H17ClFN5O2 and a molecular weight of 425.85 g/mol. Its IUPAC name is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
PubChem CID19508873
Molecular FormulaC21H17ClFN5O2
Molecular Weight425.85 g/mol
Exact Mass425.11
IUPAC NameN-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3nn(Cc4cccc(F)c4)cc3Cl)[nH]n2)cc1
InChIInChI=1S/C21H17ClFN5O2/c1-30-16-7-5-14(6-8-16)18-10-19(26-25-18)21(29)24-20-17(22)12-28(27-20)11-13-3-2-4-15(23)9-13/h2-10,12H,11H2,1H3,(H,25,26)(H,24,27,29)
InChIKeyRBGMBCVGGABQIK-UHFFFAOYSA-N
XLogP4.37
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.85
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-chlorophenyl)-1H-pyrazole-5-carboxamide
CID 19509493
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-methylbenzamide
CID 19402743
N-[4-chloro-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dichlorophenyl)-1H-pyrazole-5-carboxamide
CID 19513655
N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509760
N-[4-chloro-1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 19513117
N-[1-[(3-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19508875
N-[1-[(3-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3-(3-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 19509817
2-chloro-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19401062
N'-[2-(3-fluorophenyl)acetyl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carbohydrazide
CID 78803289
1-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(3-methoxyphenyl)thiourea
CID 19401229
N-[4-chloro-1-[(4-fluorophenyl)methyl]pyrazol-3-yl]-3-fluorobenzamide
CID 19409129
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-4-[(4-chloro-3-methylphenoxy)methyl]benzamide
CID 19402766

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide (CID 19508873) is N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is COc1ccc(-c2cc(C(=O)Nc3nn(Cc4cccc(F)c4)cc3Cl)[nH]n2)cc1.
What is the InChIKey of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is RBGMBCVGGABQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN5O2/c1-30-16-7-5-14(6-8-16)18-10-19(26-25-18)21(29)24-20-17(22)12-28(27-20)11-13-3-2-4-15(23)9-13/h2-10,12H,11H2,1H3,(H,25,26)(H,24,27,29).
What are the key properties of N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide?
N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 425.85 g/mol, XLogP of 4.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19508873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).