N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine

C10H17N3 — CID 63048865

IUPACN-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C10H17N3/c1-10(2,3)11-9-6-8(12-13-9)7-4-5-7/h6-7H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeySTSYAKHOXDPROT-UHFFFAOYSA-N
MW179.27 g/mol
LogP2.50
Rot. Bonds2

About N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine

N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine (PubChem CID 63048865) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
PubChem CID63048865
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine
SMILESCC(C)(C)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C10H17N3/c1-10(2,3)11-9-6-8(12-13-9)7-4-5-7/h6-7H,4-5H2,1-3H3,(H2,11,12,13)
InChIKeySTSYAKHOXDPROT-UHFFFAOYSA-N
XLogP2.50
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine?
The IUPAC name of N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine (CID 63048865) is N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine is CC(C)(C)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine?
The InChIKey is STSYAKHOXDPROT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-10(2,3)11-9-6-8(12-13-9)7-4-5-7/h6-7H,4-5H2,1-3H3,(H2,11,12,13).
What are the key properties of N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine?
N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine has a molecular weight of 179.27 g/mol, XLogP of 2.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-cyclopropyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63048865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).