N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine

C15H27N3 — CID 114110449

IUPACN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
SMILESCn1cc(CNC(C)(C)C2CC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-14(2,3)13-11(10-18(6)17-13)9-16-15(4,5)12-7-8-12/h10,12,16H,7-9H2,1-6H3
InChIKeyFEGBSIXHHYVCJB-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.00
Rot. Bonds4

About N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine

N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine (PubChem CID 114110449) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine.

Molecular Properties

Compound NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
PubChem CID114110449
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine
SMILESCn1cc(CNC(C)(C)C2CC2)c(C(C)(C)C)n1
InChIInChI=1S/C15H27N3/c1-14(2,3)13-11(10-18(6)17-13)9-16-15(4,5)12-7-8-12/h10,12,16H,7-9H2,1-6H3
InChIKeyFEGBSIXHHYVCJB-UHFFFAOYSA-N
XLogP3.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine?
The IUPAC name of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine (CID 114110449) is N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine.
What is the SMILES notation for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine?
The canonical SMILES for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine is Cn1cc(CNC(C)(C)C2CC2)c(C(C)(C)C)n1.
What is the InChIKey of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine?
The InChIKey is FEGBSIXHHYVCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-14(2,3)13-11(10-18(6)17-13)9-16-15(4,5)12-7-8-12/h10,12,16H,7-9H2,1-6H3.
What are the key properties of N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine?
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine has a molecular weight of 249.40 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-cyclopropylpropan-2-amine is sourced from PubChem (CID 114110449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).