5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine

C15H21N3 — CID 79404846

IUPAC5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21N3/c1-4-5-13-14(17-18-15(13)16)12-8-6-11(7-9-12)10(2)3/h6-10H,4-5H2,1-3H3,(H3,16,17,18)
InChIKeyDMCPAQDQYXHDDN-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.73
Rot. Bonds4

About 5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine

5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine (PubChem CID 79404846) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine
PubChem CID79404846
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine
SMILESCCCc1c(N)n[nH]c1-c1ccc(C(C)C)cc1
InChIInChI=1S/C15H21N3/c1-4-5-13-14(17-18-15(13)16)12-8-6-11(7-9-12)10(2)3/h6-10H,4-5H2,1-3H3,(H3,16,17,18)
InChIKeyDMCPAQDQYXHDDN-UHFFFAOYSA-N
XLogP3.73
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine (CID 79404846) is 5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine is CCCc1c(N)n[nH]c1-c1ccc(C(C)C)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine?
The InChIKey is DMCPAQDQYXHDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-5-13-14(17-18-15(13)16)12-8-6-11(7-9-12)10(2)3/h6-10H,4-5H2,1-3H3,(H3,16,17,18).
What are the key properties of 5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine?
5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine has a molecular weight of 243.35 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-4-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 79404846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).