4-(3-chlorophenyl)-1H-pyrazol-5-amine

C9H8ClN3 — CID 10442605

IUPAC4-(3-chlorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChIKeyAKBOVXXJALCPNM-UHFFFAOYSA-N
MW193.64 g/mol
LogP2.31
Rot. Bonds1

About 4-(3-chlorophenyl)-1H-pyrazol-5-amine

4-(3-chlorophenyl)-1H-pyrazol-5-amine (PubChem CID 10442605) has the molecular formula C9H8ClN3 and a molecular weight of 193.64 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1H-pyrazol-5-amine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1H-pyrazol-5-amine
PubChem CID10442605
Molecular FormulaC9H8ClN3
Molecular Weight193.64 g/mol
Exact Mass193.04
IUPAC Name4-(3-chlorophenyl)-1H-pyrazol-5-amine
SMILESNc1[nH]ncc1-c1cccc(Cl)c1
InChIInChI=1S/C9H8ClN3/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13)
InChIKeyAKBOVXXJALCPNM-UHFFFAOYSA-N
XLogP2.31
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.64
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1H-pyrazol-5-amine?
The IUPAC name of 4-(3-chlorophenyl)-1H-pyrazol-5-amine (CID 10442605) is 4-(3-chlorophenyl)-1H-pyrazol-5-amine.
What is the SMILES notation for 4-(3-chlorophenyl)-1H-pyrazol-5-amine?
The canonical SMILES for 4-(3-chlorophenyl)-1H-pyrazol-5-amine is Nc1[nH]ncc1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-1H-pyrazol-5-amine?
The InChIKey is AKBOVXXJALCPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClN3/c10-7-3-1-2-6(4-7)8-5-12-13-9(8)11/h1-5H,(H3,11,12,13).
What are the key properties of 4-(3-chlorophenyl)-1H-pyrazol-5-amine?
4-(3-chlorophenyl)-1H-pyrazol-5-amine has a molecular weight of 193.64 g/mol, XLogP of 2.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1H-pyrazol-5-amine is sourced from PubChem (CID 10442605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).