(4-chloro-1-methylpyrazol-5-yl)methanamine

C5H8ClN3 — CID 7017613

IUPAC(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1CN
InChIInChI=1S/C5H8ClN3/c1-9-5(2-7)4(6)3-8-9/h3H,2,7H2,1H3
InChIKeyRZXLCHNMSSOLHE-UHFFFAOYSA-N
MW145.59 g/mol
LogP0.53
Rot. Bonds1

About (4-chloro-1-methylpyrazol-5-yl)methanamine

(4-chloro-1-methylpyrazol-5-yl)methanamine (PubChem CID 7017613) has the molecular formula C5H8ClN3 and a molecular weight of 145.59 g/mol. Its IUPAC name is (4-chloro-1-methylpyrazol-5-yl)methanamine.

Molecular Properties

Compound Name(4-chloro-1-methylpyrazol-5-yl)methanamine
PubChem CID7017613
Molecular FormulaC5H8ClN3
Molecular Weight145.59 g/mol
Exact Mass145.04
IUPAC Name(4-chloro-1-methylpyrazol-5-yl)methanamine
SMILESCn1ncc(Cl)c1CN
InChIInChI=1S/C5H8ClN3/c1-9-5(2-7)4(6)3-8-9/h3H,2,7H2,1H3
InChIKeyRZXLCHNMSSOLHE-UHFFFAOYSA-N
XLogP0.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.59
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-1-methylpyrazol-5-yl)methanamine?
The IUPAC name of (4-chloro-1-methylpyrazol-5-yl)methanamine (CID 7017613) is (4-chloro-1-methylpyrazol-5-yl)methanamine.
What is the SMILES notation for (4-chloro-1-methylpyrazol-5-yl)methanamine?
The canonical SMILES for (4-chloro-1-methylpyrazol-5-yl)methanamine is Cn1ncc(Cl)c1CN.
What is the InChIKey of (4-chloro-1-methylpyrazol-5-yl)methanamine?
The InChIKey is RZXLCHNMSSOLHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClN3/c1-9-5(2-7)4(6)3-8-9/h3H,2,7H2,1H3.
What are the key properties of (4-chloro-1-methylpyrazol-5-yl)methanamine?
(4-chloro-1-methylpyrazol-5-yl)methanamine has a molecular weight of 145.59 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chloro-1-methylpyrazol-5-yl)methanamine is sourced from PubChem (CID 7017613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).