N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine

C16H23N3 — CID 62196925

IUPACN-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H23N3/c1-3-4-8-14(2)17-11-15-12-18-19(13-15)16-9-6-5-7-10-16/h5-7,9-10,12-14,17H,3-4,8,11H2,1-2H3
InChIKeyNPZIXXOKEJKFRQ-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.54
Rot. Bonds7

About N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine

N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine (PubChem CID 62196925) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine.

Molecular Properties

Compound NameN-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
PubChem CID62196925
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
SMILESCCCCC(C)NCc1cnn(-c2ccccc2)c1
InChIInChI=1S/C16H23N3/c1-3-4-8-14(2)17-11-15-12-18-19(13-15)16-9-6-5-7-10-16/h5-7,9-10,12-14,17H,3-4,8,11H2,1-2H3
InChIKeyNPZIXXOKEJKFRQ-UHFFFAOYSA-N
XLogP3.54
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-2-amine
CID 115640103
(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973
2-[(1-phenylpyrazol-4-yl)methylamino]pentanoic acid
CID 43631537
(2R)-1-(furan-2-yl)-N-[(1-phenylpyrazol-4-yl)methyl]propan-2-amine
CID 51683296
2-[(1-phenylpyrazol-4-yl)methylamino]-N-propylpropanamide
CID 43225383
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
1-(4-methyl-1,2,4-triazol-3-yl)-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 43703054
1-phenyl-4-propylpyrazole
CID 12902534
(2R)-N-benzylheptan-2-amine
CID 14923313
(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276955
2-butoxy-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 61169682

Frequently Asked Questions

What is the IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine?
The IUPAC name of N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine (CID 62196925) is N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine.
What is the SMILES notation for N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine?
The canonical SMILES for N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine is CCCCC(C)NCc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine?
The InChIKey is NPZIXXOKEJKFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-3-4-8-14(2)17-11-15-12-18-19(13-15)16-9-6-5-7-10-16/h5-7,9-10,12-14,17H,3-4,8,11H2,1-2H3.
What are the key properties of N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine?
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.54, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine is sourced from PubChem (CID 62196925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).