5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine

C16H21N3 — CID 63530445

IUPAC5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine
SMILESCC(C)(C)c1ccc(-c2cc(NC3CC3)n[nH]2)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)12-6-4-11(5-7-12)14-10-15(19-18-14)17-13-8-9-13/h4-7,10,13H,8-9H2,1-3H3,(H2,17,18,19)
InChIKeyXMLKDPDYVMKHNT-UHFFFAOYSA-N
MW255.37 g/mol
LogP3.95
Rot. Bonds3

About 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine

5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine (PubChem CID 63530445) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine
PubChem CID63530445
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC Name5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine
SMILESCC(C)(C)c1ccc(-c2cc(NC3CC3)n[nH]2)cc1
InChIInChI=1S/C16H21N3/c1-16(2,3)12-6-4-11(5-7-12)14-10-15(19-18-14)17-13-8-9-13/h4-7,10,13H,8-9H2,1-3H3,(H2,17,18,19)
InChIKeyXMLKDPDYVMKHNT-UHFFFAOYSA-N
XLogP3.95
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine (CID 63530445) is 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine is CC(C)(C)c1ccc(-c2cc(NC3CC3)n[nH]2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine?
The InChIKey is XMLKDPDYVMKHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-16(2,3)12-6-4-11(5-7-12)14-10-15(19-18-14)17-13-8-9-13/h4-7,10,13H,8-9H2,1-3H3,(H2,17,18,19).
What are the key properties of 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine?
5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine has a molecular weight of 255.37 g/mol, XLogP of 3.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-N-cyclopropyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63530445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).