4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide

C10H12ClN5O — CID 19479469

IUPAC4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCn1cccn1)c1[nH]ncc1Cl
InChIInChI=1S/C10H12ClN5O/c11-8-7-13-15-9(8)10(17)12-3-1-5-16-6-2-4-14-16/h2,4,6-7H,1,3,5H2,(H,12,17)(H,13,15)
InChIKeyQCYZQSGHAYIFJH-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.08
Rot. Bonds5

About 4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide

4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide (PubChem CID 19479469) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
PubChem CID19479469
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCCCn1cccn1)c1[nH]ncc1Cl
InChIInChI=1S/C10H12ClN5O/c11-8-7-13-15-9(8)10(17)12-3-1-5-16-6-2-4-14-16/h2,4,6-7H,1,3,5H2,(H,12,17)(H,13,15)
InChIKeyQCYZQSGHAYIFJH-UHFFFAOYSA-N
XLogP1.08
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(4-bromopyrazol-1-yl)propyl]-4-chloro-1H-pyrazole-5-carboxamide
CID 19295823
5,6-dichloro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112684462
4-chloro-N-(3-methoxypropyl)-1H-pyrazole-5-carboxamide
CID 19479455
4-chloro-6-methyl-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 112701067
N-[3-(4-chloropyrazol-1-yl)propyl]-4-iodo-1H-pyrazole-5-carboxamide
CID 19479985
3-(2,4-dichlorophenyl)-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide
CID 19510199
N-(3-pyrazol-1-ylpropyl)pyridine-4-carboxamide
CID 35285072
4-(3-pyrazol-1-ylpropylcarbamoyl)-1H-imidazole-5-carboxylic acid
CID 113412435
4-chloro-N-[2-(4-nitropyrazol-1-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 19574664
2-chloro-5-fluoro-N-(3-pyrazol-1-ylpropyl)pyridine-3-carboxamide
CID 113347114
4-chloro-N-[3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-1H-pyrazole-5-carboxamide
CID 19323932
N-(10-pyrazol-1-yldecyl)benzamide
CID 14662167

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide (CID 19479469) is 4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide is O=C(NCCCn1cccn1)c1[nH]ncc1Cl.
What is the InChIKey of 4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
The InChIKey is QCYZQSGHAYIFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c11-8-7-13-15-9(8)10(17)12-3-1-5-16-6-2-4-14-16/h2,4,6-7H,1,3,5H2,(H,12,17)(H,13,15).
What are the key properties of 4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide?
4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide has a molecular weight of 253.69 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-pyrazol-1-ylpropyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 19479469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).