(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride

C9H18ClN3 — CID 54758992

IUPAC(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
SMILESCCCn1nc(C)c(CN)c1C.Cl
InChIInChI=1S/C9H17N3.ClH/c1-4-5-12-8(3)9(6-10)7(2)11-12;/h4-6,10H2,1-3H3;1H
InChIKeyCUVOJOJHFLTLFW-UHFFFAOYSA-N
MW203.72 g/mol
LogP1.79
Rot. Bonds3

About (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride

(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride (PubChem CID 54758992) has the molecular formula C9H18ClN3 and a molecular weight of 203.72 g/mol. Its IUPAC name is (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
PubChem CID54758992
Molecular FormulaC9H18ClN3
Molecular Weight203.72 g/mol
Exact Mass203.12
IUPAC Name(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride
SMILESCCCn1nc(C)c(CN)c1C.Cl
InChIInChI=1S/C9H17N3.ClH/c1-4-5-12-8(3)9(6-10)7(2)11-12;/h4-6,10H2,1-3H3;1H
InChIKeyCUVOJOJHFLTLFW-UHFFFAOYSA-N
XLogP1.79
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.72
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride?
The IUPAC name of (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride (CID 54758992) is (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride.
What is the SMILES notation for (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride?
The canonical SMILES for (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride is CCCn1nc(C)c(CN)c1C.Cl.
What is the InChIKey of (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride?
The InChIKey is CUVOJOJHFLTLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3.ClH/c1-4-5-12-8(3)9(6-10)7(2)11-12;/h4-6,10H2,1-3H3;1H.
What are the key properties of (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride?
(3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride has a molecular weight of 203.72 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1-propylpyrazol-4-yl)methanamine;hydrochloride is sourced from PubChem (CID 54758992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).