5-(2-methylpyrazol-3-yl)pentan-2-amine

C9H17N3 — CID 103004310

IUPAC5-(2-methylpyrazol-3-yl)pentan-2-amine
SMILESCC(N)CCCc1ccnn1C
InChIInChI=1S/C9H17N3/c1-8(10)4-3-5-9-6-7-11-12(9)2/h6-8H,3-5,10H2,1-2H3
InChIKeyVCCKRHYXXOSKBF-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.09
Rot. Bonds4

About 5-(2-methylpyrazol-3-yl)pentan-2-amine

5-(2-methylpyrazol-3-yl)pentan-2-amine (PubChem CID 103004310) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)pentan-2-amine.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)pentan-2-amine
PubChem CID103004310
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name5-(2-methylpyrazol-3-yl)pentan-2-amine
SMILESCC(N)CCCc1ccnn1C
InChIInChI=1S/C9H17N3/c1-8(10)4-3-5-9-6-7-11-12(9)2/h6-8H,3-5,10H2,1-2H3
InChIKeyVCCKRHYXXOSKBF-UHFFFAOYSA-N
XLogP1.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
2,2-dimethyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013811
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221
4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
5-amino-N-[(2-methylpyrazol-3-yl)methyl]hexanamide
CID 82852042
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-2-yl]propan-2-amine
CID 103015071
2-methyl-4-(2-methylpyrazol-3-yl)butanoic acid
CID 103005024
1-[2-(2-methylpyrazol-3-yl)ethylsulfinyl]propan-2-amine
CID 103020461
1-[1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethanamine
CID 103014913
5-(4-chloro-4-cyclopropylbutyl)-1-methylpyrazole
CID 103013956

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)pentan-2-amine?
The IUPAC name of 5-(2-methylpyrazol-3-yl)pentan-2-amine (CID 103004310) is 5-(2-methylpyrazol-3-yl)pentan-2-amine.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)pentan-2-amine?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)pentan-2-amine is CC(N)CCCc1ccnn1C.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)pentan-2-amine?
The InChIKey is VCCKRHYXXOSKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-8(10)4-3-5-9-6-7-11-12(9)2/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 5-(2-methylpyrazol-3-yl)pentan-2-amine?
5-(2-methylpyrazol-3-yl)pentan-2-amine has a molecular weight of 167.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)pentan-2-amine is sourced from PubChem (CID 103004310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).