4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine

C16H23N3 — CID 61241748

IUPAC4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
SMILESCC(C)CC(C)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H23N3/c1-12(2)10-13(3)17-11-14-4-6-15(7-5-14)16-8-9-18-19-16/h4-9,12-13,17H,10-11H2,1-3H3,(H,18,19)
InChIKeyLXNABWREKBEWNB-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.60
Rot. Bonds6

About 4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine

4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine (PubChem CID 61241748) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
PubChem CID61241748
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine
SMILESCC(C)CC(C)NCc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C16H23N3/c1-12(2)10-13(3)17-11-14-4-6-15(7-5-14)16-8-9-18-19-16/h4-9,12-13,17H,10-11H2,1-3H3,(H,18,19)
InChIKeyLXNABWREKBEWNB-UHFFFAOYSA-N
XLogP3.60
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methylsulfonyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propan-2-amine
CID 64629153
3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butan-1-amine
CID 61241369
N-[[4-(1H-pyrazol-5-yl)phenyl]methylsulfamoyl]propan-2-amine
CID 114810007
N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]-1-(1,3-thiazol-4-yl)ethanamine
CID 115879315
N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine
CID 21355581
N-[(4-chlorophenyl)methyl]-4-methylpentan-2-amine
CID 21355577
N-(2,4-dimethylphenyl)-3-[[4-(1H-pyrazol-5-yl)phenyl]methylamino]butanamide
CID 166208672
2,2-dimethoxy-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]ethanamine
CID 63696732
(2S)-2-amino-3-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]butanamide
CID 61241755
2-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]propanamide
CID 79506463
1-cyclopropyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]methanamine
CID 61241563
(2S)-2-amino-4-methyl-N-[4-(1H-pyrazol-5-yl)phenyl]pentanamide
CID 61179187

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine?
The IUPAC name of 4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine (CID 61241748) is 4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine.
What is the SMILES notation for 4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine?
The canonical SMILES for 4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine is CC(C)CC(C)NCc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine?
The InChIKey is LXNABWREKBEWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-12(2)10-13(3)17-11-14-4-6-15(7-5-14)16-8-9-18-19-16/h4-9,12-13,17H,10-11H2,1-3H3,(H,18,19).
What are the key properties of 4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine?
4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine has a molecular weight of 257.38 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[4-(1H-pyrazol-5-yl)phenyl]methyl]pentan-2-amine is sourced from PubChem (CID 61241748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).