2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine

C14H27N3 — CID 103019834

IUPAC2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCC(C)C(C)CCc1ccnn1C
InChIInChI=1S/C14H27N3/c1-11(2)15-10-13(4)12(3)6-7-14-8-9-16-17(14)5/h8-9,11-13,15H,6-7,10H2,1-5H3
InChIKeyKMVHXZVGFJJCMK-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.62
Rot. Bonds7

About 2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine

2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine (PubChem CID 103019834) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine
PubChem CID103019834
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine
SMILESCC(C)NCC(C)C(C)CCc1ccnn1C
InChIInChI=1S/C14H27N3/c1-11(2)15-10-13(4)12(3)6-7-14-8-9-16-17(14)5/h8-9,11-13,15H,6-7,10H2,1-5H3
InChIKeyKMVHXZVGFJJCMK-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

5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
2-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)-N-propan-2-ylbutan-1-amine
CID 103014694
N,4-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]pentan-1-amine
CID 103014306
N,3,3-trimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014774
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
3-(2-methylpyrazol-3-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 81024676
N-[[1-[2-(2-methylpyrazol-3-yl)ethyl]cyclopropyl]methyl]propan-2-amine
CID 103014617
5-[4-bromo-3-(bromomethyl)butyl]-1-methylpyrazole
CID 103019011
5-(5-bromo-3-methylhexyl)-1-methylpyrazole
CID 103016082
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine?
The IUPAC name of 2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine (CID 103019834) is 2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for 2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine?
The canonical SMILES for 2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine is CC(C)NCC(C)C(C)CCc1ccnn1C.
What is the InChIKey of 2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine?
The InChIKey is KMVHXZVGFJJCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-11(2)15-10-13(4)12(3)6-7-14-8-9-16-17(14)5/h8-9,11-13,15H,6-7,10H2,1-5H3.
What are the key properties of 2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine?
2,3-dimethyl-5-(2-methylpyrazol-3-yl)-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 2,3-dimethyl-5-(2-methylpyrazol-3-yl)-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 103019834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).