1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine

C18H35N3 — CID 103029553

IUPAC1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
SMILESCCCCCCCCC(CCc1cnn(C)c1)NCCC
InChIInChI=1S/C18H35N3/c1-4-6-7-8-9-10-11-18(19-14-5-2)13-12-17-15-20-21(3)16-17/h15-16,18-19H,4-14H2,1-3H3
InChIKeyFKEFWGQXILBKLL-UHFFFAOYSA-N
MW293.50 g/mol
LogP4.47
Rot. Bonds13

About 1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine

1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine (PubChem CID 103029553) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
PubChem CID103029553
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine
SMILESCCCCCCCCC(CCc1cnn(C)c1)NCCC
InChIInChI=1S/C18H35N3/c1-4-6-7-8-9-10-11-18(19-14-5-2)13-12-17-15-20-21(3)16-17/h15-16,18-19H,4-14H2,1-3H3
InChIKeyFKEFWGQXILBKLL-UHFFFAOYSA-N
XLogP4.47
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(1-methylpyrazol-4-yl)undecan-3-ylhydrazine
CID 103025813
4-(1-methylpyrazol-4-yl)-1-propoxy-N-propylbutan-2-amine
CID 103009702
4-(1-methylpyrazol-4-yl)-N-propyl-1-pyridin-4-ylbutan-2-amine
CID 103009812
1-(1-methylpyrazol-4-yl)tetradecan-3-ol
CID 103027779
5-(1-methylpyrazol-4-yl)-N-propylpentan-2-amine
CID 64504956
1-(3-ethoxycyclobutyl)-4-(1-methylpyrazol-4-yl)-N-propylbutan-2-amine
CID 103169839
1-(1-methylpyrazol-4-yl)tridecan-2-ylhydrazine
CID 105291057
1-(1-ethylpyrazol-4-yl)-N-propyldecan-2-amine
CID 115822163
1-(3-ethyl-1-methylpyrazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103029843
1-(5-methylfuran-3-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 103030136
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
5,5-dimethyl-1-(1-methylpyrazol-4-yl)-N-propylhexan-2-amine
CID 114211898

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine (CID 103029553) is 1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine is CCCCCCCCC(CCc1cnn(C)c1)NCCC.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine?
The InChIKey is FKEFWGQXILBKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-6-7-8-9-10-11-18(19-14-5-2)13-12-17-15-20-21(3)16-17/h15-16,18-19H,4-14H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine?
1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine has a molecular weight of 293.50 g/mol, XLogP of 4.47, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-N-propylundecan-3-amine is sourced from PubChem (CID 103029553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).