4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide

C14H19BrClN5O — CID 19266245

IUPAC4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1nn(CCCNC(=O)c2nn(C)c(C)c2Br)c(C)c1Cl
InChIInChI=1S/C14H19BrClN5O/c1-8-12(16)10(3)21(18-8)7-5-6-17-14(22)13-11(15)9(2)20(4)19-13/h5-7H2,1-4H3,(H,17,22)
InChIKeyQRVIGXSMVCUYCN-UHFFFAOYSA-N
MW388.70 g/mol
LogP2.78
Rot. Bonds5

About 4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide

4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 19266245) has the molecular formula C14H19BrClN5O and a molecular weight of 388.70 g/mol. Its IUPAC name is 4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID19266245
Molecular FormulaC14H19BrClN5O
Molecular Weight388.70 g/mol
Exact Mass387.05
IUPAC Name4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1nn(CCCNC(=O)c2nn(C)c(C)c2Br)c(C)c1Cl
InChIInChI=1S/C14H19BrClN5O/c1-8-12(16)10(3)21(18-8)7-5-6-17-14(22)13-11(15)9(2)20(4)19-13/h5-7H2,1-4H3,(H,17,22)
InChIKeyQRVIGXSMVCUYCN-UHFFFAOYSA-N
XLogP2.78
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.70
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide
CID 19266535
4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803366
4-bromo-1,5-dimethyl-N-octadecylpyrazole-3-carboxamide
CID 19266131
4-bromo-N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19266293
4-bromo-1,5-dimethyl-N-(2-sulfanylethyl)pyrazole-3-carboxamide
CID 19266193
1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]pyrazole-3-carboxamide
CID 19264318
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-2,5-dimethylbenzamide
CID 19295543
4-chloro-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-5-nitro-1H-pyrazole-3-carboxamide
CID 135803657
1-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-3-(3-methoxypropyl)thiourea
CID 4768528
N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1-propan-2-ylpyrazole-4-carboxamide
CID 70761740
2-[3-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19500222
2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]acetamide
CID 118776267

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide (CID 19266245) is 4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1nn(CCCNC(=O)c2nn(C)c(C)c2Br)c(C)c1Cl.
What is the InChIKey of 4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is QRVIGXSMVCUYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrClN5O/c1-8-12(16)10(3)21(18-8)7-5-6-17-14(22)13-11(15)9(2)20(4)19-13/h5-7H2,1-4H3,(H,17,22).
What are the key properties of 4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide?
4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 388.70 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[3-(4-chloro-3,5-dimethylpyrazol-1-yl)propyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 19266245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).