1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine

C17H25N3 — CID 62903879

IUPAC1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine
SMILESCCCc1ccc(C(C)Nc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C17H25N3/c1-5-6-15-7-9-16(10-8-15)14(4)19-17-11-18-20(12-17)13(2)3/h7-14,19H,5-6H2,1-4H3
InChIKeyOCMRPVJQEXEASY-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.59
Rot. Bonds6

About 1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine

1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine (PubChem CID 62903879) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine.

Molecular Properties

Compound Name1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine
PubChem CID62903879
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine
SMILESCCCc1ccc(C(C)Nc2cnn(C(C)C)c2)cc1
InChIInChI=1S/C17H25N3/c1-5-6-15-7-9-16(10-8-15)14(4)19-17-11-18-20(12-17)13(2)3/h7-14,19H,5-6H2,1-4H3
InChIKeyOCMRPVJQEXEASY-UHFFFAOYSA-N
XLogP4.59
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62902276
N-[1-(4-tert-butylphenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62904585
N-[(1-propan-2-ylpyrazol-4-yl)methyl]-4-propylaniline
CID 103817805
4-methyl-N-[1-(4-propylphenyl)ethyl]aniline
CID 43111793
4-chloro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43098857
4-fluoro-N-[1-(4-propylphenyl)ethyl]aniline
CID 43094286
1-propan-2-yl-N-[(4-propan-2-ylphenyl)methyl]pyrazol-4-amine
CID 62904044
N-[1-(3-chlorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 62903529
N-(1-phenylethyl)-4-propylaniline
CID 43078217
N-[1-(4-propylphenyl)ethyl]propan-1-amine
CID 43185206
N-nonan-2-yl-1-propan-2-ylpyrazol-4-amine
CID 63478238
N-[1-(2,6-difluorophenyl)ethyl]-1-propan-2-ylpyrazol-4-amine
CID 55130668

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine?
The IUPAC name of 1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine (CID 62903879) is 1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine.
What is the SMILES notation for 1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine?
The canonical SMILES for 1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine is CCCc1ccc(C(C)Nc2cnn(C(C)C)c2)cc1.
What is the InChIKey of 1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine?
The InChIKey is OCMRPVJQEXEASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-5-6-15-7-9-16(10-8-15)14(4)19-17-11-18-20(12-17)13(2)3/h7-14,19H,5-6H2,1-4H3.
What are the key properties of 1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine?
1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-N-[1-(4-propylphenyl)ethyl]pyrazol-4-amine is sourced from PubChem (CID 62903879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).