(Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide

C6H6ClN3O — CID 55268080

IUPAC(Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide
SMILESNC(=O)/C=C\c1[nH]ncc1Cl
InChIInChI=1S/C6H6ClN3O/c7-4-3-9-10-5(4)1-2-6(8)11/h1-3H,(H2,8,11)(H,9,10)/b2-1-
InChIKeyPYWJDOCXXWVJGG-UPHRSURJSA-N
MW171.59 g/mol
LogP0.56
Rot. Bonds2

About (Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide

(Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide (PubChem CID 55268080) has the molecular formula C6H6ClN3O and a molecular weight of 171.59 g/mol. Its IUPAC name is (Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide
PubChem CID55268080
Molecular FormulaC6H6ClN3O
Molecular Weight171.59 g/mol
Exact Mass171.02
IUPAC Name(Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide
SMILESNC(=O)/C=C\c1[nH]ncc1Cl
InChIInChI=1S/C6H6ClN3O/c7-4-3-9-10-5(4)1-2-6(8)11/h1-3H,(H2,8,11)(H,9,10)/b2-1-
InChIKeyPYWJDOCXXWVJGG-UPHRSURJSA-N
XLogP0.56
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.59
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide (CID 55268080) is (Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide is NC(=O)/C=C\c1[nH]ncc1Cl.
What is the InChIKey of (Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide?
The InChIKey is PYWJDOCXXWVJGG-UPHRSURJSA-N. The full InChI is InChI=1S/C6H6ClN3O/c7-4-3-9-10-5(4)1-2-6(8)11/h1-3H,(H2,8,11)(H,9,10)/b2-1-.
What are the key properties of (Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide?
(Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide has a molecular weight of 171.59 g/mol, XLogP of 0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-chloro-1H-pyrazol-5-yl)prop-2-enamide is sourced from PubChem (CID 55268080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).