4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide

C14H10BrCl2N5O — CID 19345307

IUPAC4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1[nH]ncc1Br
InChIInChI=1S/C14H10BrCl2N5O/c15-10-6-18-20-13(10)14(23)19-12-3-4-22(21-12)7-8-1-2-9(16)5-11(8)17/h1-6H,7H2,(H,18,20)(H,19,21,23)
InChIKeyRYOOFPKVXKVFBP-UHFFFAOYSA-N
MW415.08 g/mol
LogP3.98
Rot. Bonds4

About 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide

4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide (PubChem CID 19345307) has the molecular formula C14H10BrCl2N5O and a molecular weight of 415.08 g/mol. Its IUPAC name is 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
PubChem CID19345307
Molecular FormulaC14H10BrCl2N5O
Molecular Weight415.08 g/mol
Exact Mass412.94
IUPAC Name4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1[nH]ncc1Br
InChIInChI=1S/C14H10BrCl2N5O/c15-10-6-18-20-13(10)14(23)19-12-3-4-22(21-12)7-8-1-2-9(16)5-11(8)17/h1-6H,7H2,(H,18,20)(H,19,21,23)
InChIKeyRYOOFPKVXKVFBP-UHFFFAOYSA-N
XLogP3.98
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.08
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479942
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyridine-2-carboxamide
CID 35537616
2-[3-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]acetic acid
CID 19500207
2,3-dichloro-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19347045
1-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-methylphenyl)urea
CID 17380831
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]cyclopropanecarboxamide
CID 19345252
N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-3,5-dimethoxybenzamide
CID 19345356
1-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]thiourea
CID 19397360
4-bromo-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-1H-pyrazole-5-carboxamide
CID 19511356
3-[4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471259
4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496248
4-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498642

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide (CID 19345307) is 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccn(Cc2ccc(Cl)cc2Cl)n1)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
The InChIKey is RYOOFPKVXKVFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2N5O/c15-10-6-18-20-13(10)14(23)19-12-3-4-22(21-12)7-8-1-2-9(16)5-11(8)17/h1-6H,7H2,(H,18,20)(H,19,21,23).
What are the key properties of 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide?
4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide has a molecular weight of 415.08 g/mol, XLogP of 3.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[1-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19345307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).