N-(5-chloro-1H-pyrazol-4-yl)butanamide

C7H10ClN3O — CID 13450486

IUPACN-(5-chloro-1H-pyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cn[nH]c1Cl
InChIInChI=1S/C7H10ClN3O/c1-2-3-6(12)10-5-4-9-11-7(5)8/h4H,2-3H2,1H3,(H,9,11)(H,10,12)
InChIKeyUVXSOFACLJCLTC-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.80
Rot. Bonds3

About N-(5-chloro-1H-pyrazol-4-yl)butanamide

N-(5-chloro-1H-pyrazol-4-yl)butanamide (PubChem CID 13450486) has the molecular formula C7H10ClN3O and a molecular weight of 187.63 g/mol. Its IUPAC name is N-(5-chloro-1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-(5-chloro-1H-pyrazol-4-yl)butanamide
PubChem CID13450486
Molecular FormulaC7H10ClN3O
Molecular Weight187.63 g/mol
Exact Mass187.05
IUPAC NameN-(5-chloro-1H-pyrazol-4-yl)butanamide
SMILESCCCC(=O)Nc1cn[nH]c1Cl
InChIInChI=1S/C7H10ClN3O/c1-2-3-6(12)10-5-4-9-11-7(5)8/h4H,2-3H2,1H3,(H,9,11)(H,10,12)
InChIKeyUVXSOFACLJCLTC-UHFFFAOYSA-N
XLogP1.80
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-(5-chloro-1H-pyrazol-4-yl)butanamide (CID 13450486) is N-(5-chloro-1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-(5-chloro-1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-(5-chloro-1H-pyrazol-4-yl)butanamide is CCCC(=O)Nc1cn[nH]c1Cl.
What is the InChIKey of N-(5-chloro-1H-pyrazol-4-yl)butanamide?
The InChIKey is UVXSOFACLJCLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClN3O/c1-2-3-6(12)10-5-4-9-11-7(5)8/h4H,2-3H2,1H3,(H,9,11)(H,10,12).
What are the key properties of N-(5-chloro-1H-pyrazol-4-yl)butanamide?
N-(5-chloro-1H-pyrazol-4-yl)butanamide has a molecular weight of 187.63 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 13450486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).