1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine

C12H23N3 — CID 79411759

IUPAC1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccnn1C
InChIInChI=1S/C12H23N3/c1-4-6-7-11(13-9-5-2)12-8-10-14-15(12)3/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyCEGSMGIJTYYUPN-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.65
Rot. Bonds7

About 1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine

1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine (PubChem CID 79411759) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
PubChem CID79411759
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine
SMILESCCCCC(NCCC)c1ccnn1C
InChIInChI=1S/C12H23N3/c1-4-6-7-11(13-9-5-2)12-8-10-14-15(12)3/h8,10-11,13H,4-7,9H2,1-3H3
InChIKeyCEGSMGIJTYYUPN-UHFFFAOYSA-N
XLogP2.65
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylpyrazol-3-yl)-N-propyloctan-1-amine
CID 115858544
1-(2-methylpyrazol-3-yl)-N-propylhex-5-en-1-amine
CID 105153281
3-cyclopropyl-1-(2-methylpyrazol-3-yl)-N-propylpropan-1-amine
CID 105157948
N-[1-(2-methylpyrazol-3-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63962229
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
N-[1-(2-methylpyrazol-3-yl)-2-pyridin-4-ylethyl]propan-1-amine
CID 63960985
1-(2-methylpyrazol-3-yl)dodecylhydrazine
CID 105307363
N-[2-tert-butylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65132859
5-(3-butylheptan-2-yl)-1-methylpyrazole
CID 151974382
N-[2-cyclopentylsulfanyl-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 65140370
N-[2-(2,6-dichlorophenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963522
N-[2-(3,4-dimethylphenyl)-1-(2-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 63963538

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine (CID 79411759) is 1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine is CCCCC(NCCC)c1ccnn1C.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine?
The InChIKey is CEGSMGIJTYYUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-7-11(13-9-5-2)12-8-10-14-15(12)3/h8,10-11,13H,4-7,9H2,1-3H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine?
1-(2-methylpyrazol-3-yl)-N-propylpentan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.65, 7 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)-N-propylpentan-1-amine is sourced from PubChem (CID 79411759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).