N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride

C9H17Cl2N3 — CID 167716417

IUPACN-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(NCC2CCC2)cn1
InChIInChI=1S/C9H15N3.2ClH/c1-12-7-9(6-11-12)10-5-8-3-2-4-8;;/h6-8,10H,2-5H2,1H3;2*1H
InChIKeyVVZATTFRITWQKZ-UHFFFAOYSA-N
MW238.16 g/mol
LogP2.48
Rot. Bonds3

About N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride

N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride (PubChem CID 167716417) has the molecular formula C9H17Cl2N3 and a molecular weight of 238.16 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride
PubChem CID167716417
Molecular FormulaC9H17Cl2N3
Molecular Weight238.16 g/mol
Exact Mass237.08
IUPAC NameN-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride
SMILESCl.Cl.Cn1cc(NCC2CCC2)cn1
InChIInChI=1S/C9H15N3.2ClH/c1-12-7-9(6-11-12)10-5-8-3-2-4-8;;/h6-8,10H,2-5H2,1H3;2*1H
InChIKeyVVZATTFRITWQKZ-UHFFFAOYSA-N
XLogP2.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.16
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride?
The IUPAC name of N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride (CID 167716417) is N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride.
What is the SMILES notation for N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride?
The canonical SMILES for N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride is Cl.Cl.Cn1cc(NCC2CCC2)cn1.
What is the InChIKey of N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride?
The InChIKey is VVZATTFRITWQKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3.2ClH/c1-12-7-9(6-11-12)10-5-8-3-2-4-8;;/h6-8,10H,2-5H2,1H3;2*1H.
What are the key properties of N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride?
N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride has a molecular weight of 238.16 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-methylpyrazol-4-amine;dihydrochloride is sourced from PubChem (CID 167716417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).