1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine

C17H25N3 — CID 62731623

IUPAC1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(CCc2ccccc2)c1
InChIInChI=1S/C17H25N3/c1-3-11-18-17(4-2)16-13-19-20(14-16)12-10-15-8-6-5-7-9-15/h5-9,13-14,17-18H,3-4,10-12H2,1-2H3
InChIKeyBZGTWYZBXZLFRD-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.58
Rot. Bonds8

About 1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine

1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine (PubChem CID 62731623) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine
PubChem CID62731623
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine
SMILESCCCNC(CC)c1cnn(CCc2ccccc2)c1
InChIInChI=1S/C17H25N3/c1-3-11-18-17(4-2)16-13-19-20(14-16)12-10-15-8-6-5-7-9-15/h5-9,13-14,17-18H,3-4,10-12H2,1-2H3
InChIKeyBZGTWYZBXZLFRD-UHFFFAOYSA-N
XLogP3.58
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 43497248
4-(1-chloroethyl)-1-(2-phenylethyl)pyrazole
CID 62729657
1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62731798
1-[1-(2-phenylethyl)pyrazol-4-yl]ethanol
CID 62731819
1-[1-[2-(3-methylbutoxy)ethyl]pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730531
3,3-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 63889821
N',N'-dimethyl-N-propyl-1-(1-propylpyrazol-4-yl)ethane-1,2-diamine
CID 79088395
1-[1-(cyclopentylmethyl)pyrazol-4-yl]-N-propylpropan-1-amine
CID 62730353
4-(1-chloroethyl)-1-(3-phenylpropyl)pyrazole
CID 62732024
1-(1-ethylpyrazol-4-yl)-3-methyl-N-propylpentan-1-amine
CID 115816153
N-[2-tert-butylsulfanyl-1-(1-propylpyrazol-4-yl)ethyl]propan-1-amine
CID 65132582
N-[1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethyl]propan-1-amine
CID 62330783

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The IUPAC name of 1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine (CID 62731623) is 1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine.
What is the SMILES notation for 1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The canonical SMILES for 1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine is CCCNC(CC)c1cnn(CCc2ccccc2)c1.
What is the InChIKey of 1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
The InChIKey is BZGTWYZBXZLFRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-3-11-18-17(4-2)16-13-19-20(14-16)12-10-15-8-6-5-7-9-15/h5-9,13-14,17-18H,3-4,10-12H2,1-2H3.
What are the key properties of 1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine?
1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.58, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-phenylethyl)pyrazol-4-yl]-N-propylpropan-1-amine is sourced from PubChem (CID 62731623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).