5-chloro-1H-pyrazol-4-amine;methane

C4H8ClN3 — CID 158337379

IUPAC5-chloro-1H-pyrazol-4-amine;methane
SMILESC.Nc1cn[nH]c1Cl
InChIInChI=1S/C3H4ClN3.CH4/c4-3-2(5)1-6-7-3;/h1H,5H2,(H,6,7);1H4
InChIKeyGQTBPJBNPXMNHN-UHFFFAOYSA-N
MW133.58 g/mol
LogP1.28
Rot. Bonds

About 5-chloro-1H-pyrazol-4-amine;methane

5-chloro-1H-pyrazol-4-amine;methane (PubChem CID 158337379) has the molecular formula C4H8ClN3 and a molecular weight of 133.58 g/mol. Its IUPAC name is 5-chloro-1H-pyrazol-4-amine;methane.

Molecular Properties

Compound Name5-chloro-1H-pyrazol-4-amine;methane
PubChem CID158337379
Molecular FormulaC4H8ClN3
Molecular Weight133.58 g/mol
Exact Mass133.04
IUPAC Name5-chloro-1H-pyrazol-4-amine;methane
SMILESC.Nc1cn[nH]c1Cl
InChIInChI=1S/C3H4ClN3.CH4/c4-3-2(5)1-6-7-3;/h1H,5H2,(H,6,7);1H4
InChIKeyGQTBPJBNPXMNHN-UHFFFAOYSA-N
XLogP1.28
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.58
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-1H-pyrazol-4-amine;methane?
The IUPAC name of 5-chloro-1H-pyrazol-4-amine;methane (CID 158337379) is 5-chloro-1H-pyrazol-4-amine;methane.
What is the SMILES notation for 5-chloro-1H-pyrazol-4-amine;methane?
The canonical SMILES for 5-chloro-1H-pyrazol-4-amine;methane is C.Nc1cn[nH]c1Cl.
What is the InChIKey of 5-chloro-1H-pyrazol-4-amine;methane?
The InChIKey is GQTBPJBNPXMNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4ClN3.CH4/c4-3-2(5)1-6-7-3;/h1H,5H2,(H,6,7);1H4.
What are the key properties of 5-chloro-1H-pyrazol-4-amine;methane?
5-chloro-1H-pyrazol-4-amine;methane has a molecular weight of 133.58 g/mol, XLogP of 1.28, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1H-pyrazol-4-amine;methane is sourced from PubChem (CID 158337379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).