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

C13H25N3 — CID 82870709

IUPAC2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1ccn(C)n1
InChIInChI=1S/C13H25N3/c1-5-6-12(10-14-11(2)3)9-13-7-8-16(4)15-13/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyYKTBBRLANZLHEX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds7

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

2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 82870709) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
PubChem CID82870709
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC Name2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCC(CNC(C)C)Cc1ccn(C)n1
InChIInChI=1S/C13H25N3/c1-5-6-12(10-14-11(2)3)9-13-7-8-16(4)15-13/h7-8,11-12,14H,5-6,9-10H2,1-4H3
InChIKeyYKTBBRLANZLHEX-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82872101
N-tert-butyl-2-[(1-methylpyrazol-3-yl)methyl]pentan-1-amine
CID 82870831
2-[(1-methylpyrazol-3-yl)methyl]pentan-1-ol
CID 82871623
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
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 82872100
3-methyl-4-(1-methylpyrazol-3-yl)-N-propylbutan-1-amine
CID 82882611
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
2-(3-chlorophenyl)-3-(1-methylpyrazol-3-yl)-N-propan-2-ylpropan-1-amine
CID 82870491
N-[2-[(1-propan-2-ylpyrazol-3-yl)methyl]pentyl]cyclopropanamine
CID 64773206
3-[2-(chloromethyl)-4-methylpentyl]-1-methylpyrazole
CID 82871627
2-[(4-chlorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62529324

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine (CID 82870709) is 2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine is CCCC(CNC(C)C)Cc1ccn(C)n1.
What is the InChIKey of 2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is YKTBBRLANZLHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-6-12(10-14-11(2)3)9-13-7-8-16(4)15-13/h7-8,11-12,14H,5-6,9-10H2,1-4H3.
What are the key properties of 2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine?
2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 82870709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).