4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine

C14H27N3 — CID 82872101

IUPAC4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(CNC(C)C)Cc1ccn(C)n1
InChIInChI=1S/C14H27N3/c1-11(2)8-13(10-15-12(3)4)9-14-6-7-17(5)16-14/h6-7,11-13,15H,8-10H2,1-5H3
InChIKeyCPJLIBOFUZNYCW-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.62
Rot. Bonds7

About 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine

4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 82872101) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID82872101
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCC(C)CC(CNC(C)C)Cc1ccn(C)n1
InChIInChI=1S/C14H27N3/c1-11(2)8-13(10-15-12(3)4)9-14-6-7-17(5)16-14/h6-7,11-13,15H,8-10H2,1-5H3
InChIKeyCPJLIBOFUZNYCW-UHFFFAOYSA-N
XLogP2.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82870709
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 82872100
3-[2-(chloromethyl)-4-methylpentyl]-1-methylpyrazole
CID 82871627
3,3-dimethyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 83138737
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
CID 82871294
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 82870491
1-(2-methylpropylamino)-3-(1-methylpyrazol-3-yl)propan-2-ol
CID 82871126
2-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methyl-N-propan-2-ylpentan-1-amine
CID 115334269
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
2-[(4-ethylphenyl)methyl]-4-methyl-N-propan-2-ylpentan-1-amine
CID 63496037
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-ol
CID 82870755
4-methyl-5-(1-methylpyrazol-3-yl)pentan-2-amine
CID 82870753

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine (CID 82872101) is 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine is CC(C)CC(CNC(C)C)Cc1ccn(C)n1.
What is the InChIKey of 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is CPJLIBOFUZNYCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)8-13(10-15-12(3)4)9-14-6-7-17(5)16-14/h6-7,11-13,15H,8-10H2,1-5H3.
What are the key properties of 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine?
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 82872101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).