3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine

C11H11ClN4 — CID 67499762

IUPAC3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine
SMILESC=CCNc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H11ClN4/c1-2-5-14-10-8-16(15-11(10)12)9-4-3-6-13-7-9/h2-4,6-8,14H,1,5H2
InChIKeyKZKPGJRZKISXDJ-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.52
Rot. Bonds4

About 3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine

3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine (PubChem CID 67499762) has the molecular formula C11H11ClN4 and a molecular weight of 234.69 g/mol. Its IUPAC name is 3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine
PubChem CID67499762
Molecular FormulaC11H11ClN4
Molecular Weight234.69 g/mol
Exact Mass234.07
IUPAC Name3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine
SMILESC=CCNc1cn(-c2cccnc2)nc1Cl
InChIInChI=1S/C11H11ClN4/c1-2-5-14-10-8-16(15-11(10)12)9-4-3-6-13-7-9/h2-4,6-8,14H,1,5H2
InChIKeyKZKPGJRZKISXDJ-UHFFFAOYSA-N
XLogP2.52
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)butanamide
CID 86700603
1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359810
3-chloro-1-pyridin-3-ylpyrazol-4-amine;dihydrochloride
CID 86705832
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methyl-3-propan-2-ylsulfanylpropanamide
CID 123960951
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-2-methylsulfanylpropanamide
CID 90359899
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethylprop-2-enamide;N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)prop-2-enamide;deuterio(fluoro)methane
CID 162174674
1-methyl-1-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)-3-prop-2-enylurea
CID 90359830
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N,2,2-trimethyl-3-methylsulfanylpropanamide
CID 86705839
N-(cyclopropylmethyl)-3-methyl-1-pyridin-3-ylpyrazol-4-amine
CID 67499535
3-bromo-N-methyl-1-pyridin-3-ylpyrazol-4-amine;hydrochloride
CID 142766793
N-(3-methyl-1-pyridin-3-ylpyrazol-4-yl)acetamide
CID 144831982
N-(3-chloro-1-pyridin-3-ylpyrazol-4-yl)-N-ethyl-4,4,4-trifluorobut-2-enamide
CID 123277810

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine?
The IUPAC name of 3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine (CID 67499762) is 3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine.
What is the SMILES notation for 3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine?
The canonical SMILES for 3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine is C=CCNc1cn(-c2cccnc2)nc1Cl.
What is the InChIKey of 3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine?
The InChIKey is KZKPGJRZKISXDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN4/c1-2-5-14-10-8-16(15-11(10)12)9-4-3-6-13-7-9/h2-4,6-8,14H,1,5H2.
What are the key properties of 3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine?
3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine has a molecular weight of 234.69 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-prop-2-enyl-1-pyridin-3-ylpyrazol-4-amine is sourced from PubChem (CID 67499762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).