5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine

C15H21N3 — CID 63048305

IUPAC5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1n[nH]c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C15H21N3/c1-4-10-16-15-13(11(2)3)14(17-18-15)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,16,17,18)
InChIKeyNYCHNRWQOWJTBR-UHFFFAOYSA-N
MW243.35 g/mol
LogP4.02
Rot. Bonds5

About 5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine

5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine (PubChem CID 63048305) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine
PubChem CID63048305
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine
SMILESCCCNc1n[nH]c(-c2ccccc2)c1C(C)C
InChIInChI=1S/C15H21N3/c1-4-10-16-15-13(11(2)3)14(17-18-15)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,16,17,18)
InChIKeyNYCHNRWQOWJTBR-UHFFFAOYSA-N
XLogP4.02
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine?
The IUPAC name of 5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine (CID 63048305) is 5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine?
The canonical SMILES for 5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine is CCCNc1n[nH]c(-c2ccccc2)c1C(C)C.
What is the InChIKey of 5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine?
The InChIKey is NYCHNRWQOWJTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-10-16-15-13(11(2)3)14(17-18-15)12-8-6-5-7-9-12/h5-9,11H,4,10H2,1-3H3,(H2,16,17,18).
What are the key properties of 5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine?
5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine has a molecular weight of 243.35 g/mol, XLogP of 4.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-propan-2-yl-N-propyl-1H-pyrazol-3-amine is sourced from PubChem (CID 63048305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).