1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine

C17H25N3 — CID 19626837

IUPAC1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine
SMILESCCCCn1nc(NCC(C)c2ccccc2)cc1C
InChIInChI=1S/C17H25N3/c1-4-5-11-20-15(3)12-17(19-20)18-13-14(2)16-9-7-6-8-10-16/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,18,19)
InChIKeyMVHORJPNZXAKAN-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.21
Rot. Bonds7

About 1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine

1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine (PubChem CID 19626837) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine
PubChem CID19626837
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine
SMILESCCCCn1nc(NCC(C)c2ccccc2)cc1C
InChIInChI=1S/C17H25N3/c1-4-5-11-20-15(3)12-17(19-20)18-13-14(2)16-9-7-6-8-10-16/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,18,19)
InChIKeyMVHORJPNZXAKAN-UHFFFAOYSA-N
XLogP4.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine?
The IUPAC name of 1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine (CID 19626837) is 1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine.
What is the SMILES notation for 1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine?
The canonical SMILES for 1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine is CCCCn1nc(NCC(C)c2ccccc2)cc1C.
What is the InChIKey of 1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine?
The InChIKey is MVHORJPNZXAKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-4-5-11-20-15(3)12-17(19-20)18-13-14(2)16-9-7-6-8-10-16/h6-10,12,14H,4-5,11,13H2,1-3H3,(H,18,19).
What are the key properties of 1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine?
1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine has a molecular weight of 271.41 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-5-methyl-N-(2-phenylpropyl)pyrazol-3-amine is sourced from PubChem (CID 19626837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).