(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride

C6H13Cl2N3 — CID 45075089

IUPAC(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride
SMILESCc1n[nH]c(C)c1CN.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-4-6(3-7)5(2)9-8-4;;/h3,7H2,1-2H3,(H,8,9);2*1H
InChIKeyLPMQZRJFDBYDEM-UHFFFAOYSA-N
MW198.10 g/mol
LogP1.33
Rot. Bonds1

About (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride

(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride (PubChem CID 45075089) has the molecular formula C6H13Cl2N3 and a molecular weight of 198.10 g/mol. Its IUPAC name is (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride
PubChem CID45075089
Molecular FormulaC6H13Cl2N3
Molecular Weight198.10 g/mol
Exact Mass197.05
IUPAC Name(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride
SMILESCc1n[nH]c(C)c1CN.Cl.Cl
InChIInChI=1S/C6H11N3.2ClH/c1-4-6(3-7)5(2)9-8-4;;/h3,7H2,1-2H3,(H,8,9);2*1H
InChIKeyLPMQZRJFDBYDEM-UHFFFAOYSA-N
XLogP1.33
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.10
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride (CID 45075089) is (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride is Cc1n[nH]c(C)c1CN.Cl.Cl.
What is the InChIKey of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride?
The InChIKey is LPMQZRJFDBYDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3.2ClH/c1-4-6(3-7)5(2)9-8-4;;/h3,7H2,1-2H3,(H,8,9);2*1H.
What are the key properties of (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride?
(3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride has a molecular weight of 198.10 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1H-pyrazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 45075089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).