(4-chloro-1-ethylpyrazol-3-yl)methanamine

C6H10ClN3 — CID 7017043

IUPAC(4-chloro-1-ethylpyrazol-3-yl)methanamine
SMILESCCn1cc(Cl)c(CN)n1
InChIInChI=1S/C6H10ClN3/c1-2-10-4-5(7)6(3-8)9-10/h4H,2-3,8H2,1H3
InChIKeyMEZJZDGZPVYJTM-UHFFFAOYSA-N
MW159.62 g/mol
LogP1.02
Rot. Bonds2

About (4-chloro-1-ethylpyrazol-3-yl)methanamine

(4-chloro-1-ethylpyrazol-3-yl)methanamine (PubChem CID 7017043) has the molecular formula C6H10ClN3 and a molecular weight of 159.62 g/mol. Its IUPAC name is (4-chloro-1-ethylpyrazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-ethylpyrazol-3-yl)methanamine
PubChem CID7017043
Molecular FormulaC6H10ClN3
Molecular Weight159.62 g/mol
Exact Mass159.06
IUPAC Name(4-chloro-1-ethylpyrazol-3-yl)methanamine
SMILESCCn1cc(Cl)c(CN)n1
InChIInChI=1S/C6H10ClN3/c1-2-10-4-5(7)6(3-8)9-10/h4H,2-3,8H2,1H3
InChIKeyMEZJZDGZPVYJTM-UHFFFAOYSA-N
XLogP1.02
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.62
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)methanamine?
The IUPAC name of (4-chloro-1-ethylpyrazol-3-yl)methanamine (CID 7017043) is (4-chloro-1-ethylpyrazol-3-yl)methanamine.
What is the SMILES notation for (4-chloro-1-ethylpyrazol-3-yl)methanamine?
The canonical SMILES for (4-chloro-1-ethylpyrazol-3-yl)methanamine is CCn1cc(Cl)c(CN)n1.
What is the InChIKey of (4-chloro-1-ethylpyrazol-3-yl)methanamine?
The InChIKey is MEZJZDGZPVYJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClN3/c1-2-10-4-5(7)6(3-8)9-10/h4H,2-3,8H2,1H3.
What are the key properties of (4-chloro-1-ethylpyrazol-3-yl)methanamine?
(4-chloro-1-ethylpyrazol-3-yl)methanamine has a molecular weight of 159.62 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-ethylpyrazol-3-yl)methanamine is sourced from PubChem (CID 7017043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).