N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine

C10H17N3 — CID 102804461

IUPACN-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCC1CCC1
InChIInChI=1S/C10H17N3/c1-8-10(7-13(2)12-8)11-6-9-4-3-5-9/h7,9,11H,3-6H2,1-2H3
InChIKeyVGUHJCWATHSMCZ-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.94
Rot. Bonds3

About N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine

N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine (PubChem CID 102804461) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
PubChem CID102804461
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine
SMILESCc1nn(C)cc1NCC1CCC1
InChIInChI=1S/C10H17N3/c1-8-10(7-13(2)12-8)11-6-9-4-3-5-9/h7,9,11H,3-6H2,1-2H3
InChIKeyVGUHJCWATHSMCZ-UHFFFAOYSA-N
XLogP1.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dimethyl-N-[(5-methyloxolan-2-yl)methyl]pyrazol-4-amine
CID 102804468
1,3-dimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-4-amine
CID 130708465
N-(cyclobutylmethyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 65191855
1-methyl-N-[(3-methylcyclohexyl)methyl]-3-propan-2-ylpyrazol-4-amine
CID 114262679
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1,3-dimethylpyrazol-4-amine
CID 103866865
N-cycloheptyl-2-[(1,3-dimethylpyrazol-4-yl)amino]acetamide
CID 102805314
3-ethyl-1-methyl-N-(piperidin-3-ylmethyl)pyrazol-4-amine
CID 107462376
N-[(1-cyclopentylpyrazol-4-yl)methyl]-1,3-dimethylpyrazol-4-amine
CID 122167731
N-(3-cyclopropylcyclohexyl)-1,3-dimethylpyrazol-4-amine
CID 104955790
N-(3-methoxy-3-methylbutyl)-1,3-dimethylpyrazol-4-amine
CID 103033669
N-(2,3-dihydro-1-benzofuran-3-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805247
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-1,3-dimethylpyrazol-4-amine
CID 102805298

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine?
The IUPAC name of N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine (CID 102804461) is N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine is Cc1nn(C)cc1NCC1CCC1.
What is the InChIKey of N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine?
The InChIKey is VGUHJCWATHSMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-8-10(7-13(2)12-8)11-6-9-4-3-5-9/h7,9,11H,3-6H2,1-2H3.
What are the key properties of N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine?
N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine has a molecular weight of 179.27 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1,3-dimethylpyrazol-4-amine is sourced from PubChem (CID 102804461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).