N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine

C17H25N3 — CID 43769158

IUPACN-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1cnn(C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C17H25N3/c1-14(16-8-6-5-7-9-16)10-18-11-15-12-19-20(13-15)17(2,3)4/h5-9,12-14,18H,10-11H2,1-4H3
InChIKeyKNEOKSFGUGSNOW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.53
Rot. Bonds5

About N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine

N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine (PubChem CID 43769158) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
PubChem CID43769158
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine
SMILESCC(CNCc1cnn(C(C)(C)C)c1)c1ccccc1
InChIInChI=1S/C17H25N3/c1-14(16-8-6-5-7-9-16)10-18-11-15-12-19-20(13-15)17(2,3)4/h5-9,12-14,18H,10-11H2,1-4H3
InChIKeyKNEOKSFGUGSNOW-UHFFFAOYSA-N
XLogP3.53
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine?
The IUPAC name of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine (CID 43769158) is N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine.
What is the SMILES notation for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine?
The canonical SMILES for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine is CC(CNCc1cnn(C(C)(C)C)c1)c1ccccc1.
What is the InChIKey of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine?
The InChIKey is KNEOKSFGUGSNOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-14(16-8-6-5-7-9-16)10-18-11-15-12-19-20(13-15)17(2,3)4/h5-9,12-14,18H,10-11H2,1-4H3.
What are the key properties of N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine?
N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine has a molecular weight of 271.41 g/mol, XLogP of 3.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butylpyrazol-4-yl)methyl]-2-phenylpropan-1-amine is sourced from PubChem (CID 43769158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).