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

C10H19N3 — CID 82871294

IUPACN-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(CNC)Cc1ccn(C)n1
InChIInChI=1S/C10H19N3/c1-4-9(8-11-2)7-10-5-6-13(3)12-10/h5-6,9,11H,4,7-8H2,1-3H3
InChIKeyPJPLRMMLNOGHQT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.21
Rot. Bonds5

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

N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine (PubChem CID 82871294) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
PubChem CID82871294
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC NameN-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine
SMILESCCC(CNC)Cc1ccn(C)n1
InChIInChI=1S/C10H19N3/c1-4-9(8-11-2)7-10-5-6-13(3)12-10/h5-6,9,11H,4,7-8H2,1-3H3
InChIKeyPJPLRMMLNOGHQT-UHFFFAOYSA-N
XLogP1.21
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.21
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
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
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propylpentan-1-amine
CID 82872100
4-methyl-2-[(1-methylpyrazol-3-yl)methyl]-N-propan-2-ylpentan-1-amine
CID 82872101
N,3-dimethyl-1-(1-methylpyrazol-3-yl)butan-2-amine
CID 82877634
N-ethyl-2,3-dimethyl-4-(1-methylpyrazol-3-yl)butan-1-amine
CID 82882880
2-(4-methylphenyl)-3-(1-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 82871414
[3-methyl-1-(1-methylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105219619
2-methyl-N-[3-(1-methylpyrazol-3-yl)-2-phenylpropyl]propan-1-amine
CID 82871053
3-methyl-4-(methylamino)-1-(1-methylpyrazol-3-yl)butan-2-one
CID 116586852
3-[2-(chloromethyl)-4-methylpentyl]-1-methylpyrazole
CID 82871627

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The IUPAC name of N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine (CID 82871294) is N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine.
What is the SMILES notation for N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The canonical SMILES for N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine is CCC(CNC)Cc1ccn(C)n1.
What is the InChIKey of N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
The InChIKey is PJPLRMMLNOGHQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-4-9(8-11-2)7-10-5-6-13(3)12-10/h5-6,9,11H,4,7-8H2,1-3H3.
What are the key properties of N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine?
N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine has a molecular weight of 181.28 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[(1-methylpyrazol-3-yl)methyl]butan-1-amine is sourced from PubChem (CID 82871294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).