(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride

C8H15Cl2N3 — CID 171340448

IUPAC(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1ncc(CN)c1C1CC1
InChIInChI=1S/C8H13N3.2ClH/c1-11-8(6-2-3-6)7(4-9)5-10-11;;/h5-6H,2-4,9H2,1H3;2*1H
InChIKeyBVVCXFZMPJMMCF-UHFFFAOYSA-N
MW224.13 g/mol
LogP1.60
Rot. Bonds2

About (5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride

(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride (PubChem CID 171340448) has the molecular formula C8H15Cl2N3 and a molecular weight of 224.13 g/mol. Its IUPAC name is (5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride.

Molecular Properties

Compound Name(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride
PubChem CID171340448
Molecular FormulaC8H15Cl2N3
Molecular Weight224.13 g/mol
Exact Mass223.06
IUPAC Name(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride
SMILESCl.Cl.Cn1ncc(CN)c1C1CC1
InChIInChI=1S/C8H13N3.2ClH/c1-11-8(6-2-3-6)7(4-9)5-10-11;;/h5-6H,2-4,9H2,1H3;2*1H
InChIKeyBVVCXFZMPJMMCF-UHFFFAOYSA-N
XLogP1.60
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.13
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride?
The IUPAC name of (5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride (CID 171340448) is (5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride.
What is the SMILES notation for (5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride?
The canonical SMILES for (5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride is Cl.Cl.Cn1ncc(CN)c1C1CC1.
What is the InChIKey of (5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride?
The InChIKey is BVVCXFZMPJMMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3.2ClH/c1-11-8(6-2-3-6)7(4-9)5-10-11;;/h5-6H,2-4,9H2,1H3;2*1H.
What are the key properties of (5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride?
(5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride has a molecular weight of 224.13 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1-methylpyrazol-4-yl)methanamine;dihydrochloride is sourced from PubChem (CID 171340448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).