4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide

C9H9BrClN5O — CID 19283381

IUPAC4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)c1[nH]ncc1Br
InChIInChI=1S/C9H9BrClN5O/c10-7-4-13-15-8(7)9(17)12-1-2-16-5-6(11)3-14-16/h3-5H,1-2H2,(H,12,17)(H,13,15)
InChIKeyJFLRKQJJYYJFJT-UHFFFAOYSA-N
MW318.56 g/mol
LogP1.45
Rot. Bonds4

About 4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide

4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 19283381) has the molecular formula C9H9BrClN5O and a molecular weight of 318.56 g/mol. Its IUPAC name is 4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID19283381
Molecular FormulaC9H9BrClN5O
Molecular Weight318.56 g/mol
Exact Mass316.97
IUPAC Name4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCCn1cc(Cl)cn1)c1[nH]ncc1Br
InChIInChI=1S/C9H9BrClN5O/c10-7-4-13-15-8(7)9(17)12-1-2-16-5-6(11)3-14-16/h3-5H,1-2H2,(H,12,17)(H,13,15)
InChIKeyJFLRKQJJYYJFJT-UHFFFAOYSA-N
XLogP1.45
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.56
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479985
N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19295823
N-[2-(4-chloropyrazol-1-yl)ethyl]-5-phenyl-1H-pyrazole-4-carboxamide
CID 72913584
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543
4-chloro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19574664
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
4-bromo-N-[3-(2-oxo-1-pyridinyl)propyl]-1H-pyrazole-5-carboxamide
CID 56787757
N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4-dimethylbenzamide
CID 19283527
2-[3-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19623408
3-(4-bromo-5-methylpyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283451
4-bromo-N'-(2-chloroacetyl)-1H-pyrazole-5-carbohydrazide
CID 12921227
4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 19620445

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide (CID 19283381) is 4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCCn1cc(Cl)cn1)c1[nH]ncc1Br.
What is the InChIKey of 4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JFLRKQJJYYJFJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClN5O/c10-7-4-13-15-8(7)9(17)12-1-2-16-5-6(11)3-14-16/h3-5H,1-2H2,(H,12,17)(H,13,15).
What are the key properties of 4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide?
4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 318.56 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[2-(4-chloropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19283381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).