3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine

C13H23N3 — CID 115702975

IUPAC3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C2CCC2)cc1NCC(C)(C)C
InChIInChI=1S/C13H23N3/c1-13(2,3)9-14-12-8-11(15-16(12)4)10-6-5-7-10/h8,10,14H,5-7,9H2,1-4H3
InChIKeyLDQKMQFKYDUNAK-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.15
Rot. Bonds3

About 3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine

3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine (PubChem CID 115702975) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine.

Molecular Properties

Compound Name3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine
PubChem CID115702975
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine
SMILESCn1nc(C2CCC2)cc1NCC(C)(C)C
InChIInChI=1S/C13H23N3/c1-13(2,3)9-14-12-8-11(15-16(12)4)10-6-5-7-10/h8,10,14H,5-7,9H2,1-4H3
InChIKeyLDQKMQFKYDUNAK-UHFFFAOYSA-N
XLogP3.15
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-methylpropanamide
CID 91529109
3-cyclopropyl-1-methyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-5-amine;hydrochloride
CID 126964555
3-cyclopropyl-1-methyl-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrazol-5-amine
CID 122167900
3-cyclopropyl-N-(furan-2-ylmethyl)-1-methylpyrazol-5-amine
CID 122168879
(3-cyclopropyl-1-methylpyrazol-5-yl)carbamic acid
CID 69157729
3-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-(1-hydroxypropan-2-yl)-1-methylurea
CID 110010772
N-(3-cyclobutyl-1-methylpyrazol-5-yl)-1-phenylcyclopropane-1-carboxamide
CID 71968697
N-(3-cyclopentyl-1-methylpyrazol-5-yl)-2-phenylacetamide
CID 134799695
1-(3-cyclobutyl-1-methylpyrazol-5-yl)-3-[2-(3-methylphenyl)propan-2-yl]urea
CID 126795018
(2S)-2-amino-N-(3-cyclohexyl-1-methylpyrazol-5-yl)propanamide
CID 119337699
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-methoxyacetamide
CID 134797788
methyl N-(3-cyclopropyl-1-methylpyrazol-5-yl)carbamate
CID 134798076

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine?
The IUPAC name of 3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine (CID 115702975) is 3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine.
What is the SMILES notation for 3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine?
The canonical SMILES for 3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine is Cn1nc(C2CCC2)cc1NCC(C)(C)C.
What is the InChIKey of 3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine?
The InChIKey is LDQKMQFKYDUNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,3)9-14-12-8-11(15-16(12)4)10-6-5-7-10/h8,10,14H,5-7,9H2,1-4H3.
What are the key properties of 3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine?
3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine has a molecular weight of 221.35 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-N-(2,2-dimethylpropyl)-1-methylpyrazol-5-amine is sourced from PubChem (CID 115702975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).