1-(2-methylpyrazol-3-yl)pentan-3-amine

C9H17N3 — CID 64505334

IUPAC1-(2-methylpyrazol-3-yl)pentan-3-amine
SMILESCCC(N)CCc1ccnn1C
InChIInChI=1S/C9H17N3/c1-3-8(10)4-5-9-6-7-11-12(9)2/h6-8H,3-5,10H2,1-2H3
InChIKeyYYINTLSIYKWNDA-UHFFFAOYSA-N
MW167.26 g/mol
LogP1.09
Rot. Bonds4

About 1-(2-methylpyrazol-3-yl)pentan-3-amine

1-(2-methylpyrazol-3-yl)pentan-3-amine (PubChem CID 64505334) has the molecular formula C9H17N3 and a molecular weight of 167.26 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)pentan-3-amine
PubChem CID64505334
Molecular FormulaC9H17N3
Molecular Weight167.26 g/mol
Exact Mass167.14
IUPAC Name1-(2-methylpyrazol-3-yl)pentan-3-amine
SMILESCCC(N)CCc1ccnn1C
InChIInChI=1S/C9H17N3/c1-3-8(10)4-5-9-6-7-11-12(9)2/h6-8H,3-5,10H2,1-2H3
InChIKeyYYINTLSIYKWNDA-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

4-(2-methylpyrazol-3-yl)-1-propan-2-ylsulfanylbutan-2-amine
CID 103010442
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-[(2-methylpropan-2-yl)oxy]-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030498
1-(4-chlorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103008961
1-(2-methylpyrazol-3-yl)hexane-3,4-diol
CID 103454643
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011097
4-(2-methylpyrazol-3-yl)-1-thiophen-2-ylbutan-2-amine
CID 103009775
5-(2-methylpyrazol-3-yl)pentan-2-amine
CID 103004310
1-(3,4-difluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103030412
1-(3-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030755
4-(2-methylpyrazol-3-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009787

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)pentan-3-amine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)pentan-3-amine (CID 64505334) is 1-(2-methylpyrazol-3-yl)pentan-3-amine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)pentan-3-amine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)pentan-3-amine is CCC(N)CCc1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)pentan-3-amine?
The InChIKey is YYINTLSIYKWNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3/c1-3-8(10)4-5-9-6-7-11-12(9)2/h6-8H,3-5,10H2,1-2H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)pentan-3-amine?
1-(2-methylpyrazol-3-yl)pentan-3-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 1-(2-methylpyrazol-3-yl)pentan-3-amine is sourced from PubChem (CID 64505334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).