4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine

C16H23N3 — CID 82089340

IUPAC4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)c1[nH]nc(N)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23N3/c1-10(2)14-13(15(17)19-18-14)11-6-8-12(9-7-11)16(3,4)5/h6-10H,1-5H3,(H3,17,18,19)
InChIKeyGDVZHKBECHPYRT-UHFFFAOYSA-N
MW257.38 g/mol
LogP4.08
Rot. Bonds2

About 4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine

4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 82089340) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine
PubChem CID82089340
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine
SMILESCC(C)c1[nH]nc(N)c1-c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C16H23N3/c1-10(2)14-13(15(17)19-18-14)11-6-8-12(9-7-11)16(3,4)5/h6-10H,1-5H3,(H3,17,18,19)
InChIKeyGDVZHKBECHPYRT-UHFFFAOYSA-N
XLogP4.08
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of 4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine (CID 82089340) is 4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for 4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine is CC(C)c1[nH]nc(N)c1-c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is GDVZHKBECHPYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-10(2)14-13(15(17)19-18-14)11-6-8-12(9-7-11)16(3,4)5/h6-10H,1-5H3,(H3,17,18,19).
What are the key properties of 4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine?
4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 257.38 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-tert-butylphenyl)-5-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 82089340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).