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

C14H27N3 — CID 82870874

IUPAC1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)CCCc1ccn(C)n1
InChIInChI=1S/C14H27N3/c1-4-7-13(15-11-5-2)8-6-9-14-10-12-17(3)16-14/h10,12-13,15H,4-9,11H2,1-3H3
InChIKeyQPSGPMGZLIVODP-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.91
Rot. Bonds9

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

1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine (PubChem CID 82870874) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
PubChem CID82870874
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine
SMILESCCCNC(CCC)CCCc1ccn(C)n1
InChIInChI=1S/C14H27N3/c1-4-7-13(15-11-5-2)8-6-9-14-10-12-17(3)16-14/h10,12-13,15H,4-9,11H2,1-3H3
InChIKeyQPSGPMGZLIVODP-UHFFFAOYSA-N
XLogP2.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(1-methylpyrazol-3-yl)heptan-4-amine
CID 82870752
1-(1-methylpyrazol-3-yl)heptan-4-ol
CID 82872149
4-methyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-3-amine
CID 82870384
N-methyl-3-(1-methylpyrazol-3-yl)propan-1-amine
CID 82877898
1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 82877837
1-(1-methylpyrazol-3-yl)-3-propan-2-ylsulfanyl-N-propylpropan-2-amine
CID 82878098
1-(1-methylpyrazol-3-yl)hexan-3-amine
CID 82869047
1-(1-propan-2-ylpyrazol-3-yl)-N-propylpentan-2-amine
CID 64771198
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
1-(4-chlorophenyl)-N-[2-(1-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 104629221
1-(1-methylpyrazol-3-yl)-N-propyl-3-thiophen-2-ylpropan-2-amine
CID 82876479
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpentan-3-amine
CID 64783240

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine (CID 82870874) is 1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine is CCCNC(CCC)CCCc1ccn(C)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine?
The InChIKey is QPSGPMGZLIVODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-7-13(15-11-5-2)8-6-9-14-10-12-17(3)16-14/h10,12-13,15H,4-9,11H2,1-3H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine?
1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine has a molecular weight of 237.39 g/mol, XLogP of 2.91, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-N-propylheptan-4-amine is sourced from PubChem (CID 82870874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).