N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine

C14H25N3 — CID 55110496

IUPACN-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCCCCCn1cc(CNC2CC2)cn1
InChIInChI=1S/C14H25N3/c1-2-3-4-5-6-9-17-12-13(11-16-17)10-15-14-7-8-14/h11-12,14-15H,2-10H2,1H3
InChIKeyJQCAHOKYNSAPDL-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.11
Rot. Bonds9

About N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine

N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 55110496) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID55110496
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCCCCCCn1cc(CNC2CC2)cn1
InChIInChI=1S/C14H25N3/c1-2-3-4-5-6-9-17-12-13(11-16-17)10-15-14-7-8-14/h11-12,14-15H,2-10H2,1H3
InChIKeyJQCAHOKYNSAPDL-UHFFFAOYSA-N
XLogP3.11
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.11
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

N-[(1-propylpyrazol-4-yl)methyl]oxan-4-amine
CID 115632215
N-[(1-heptylpyrazol-4-yl)methyl]propan-2-amine
CID 55111059
N-[[1-(3-methylbut-3-enyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 114477117
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[(1-octyltriazol-4-yl)methyl]cyclopropanamine
CID 66193005
1-methyl-N-[(1-propylpyrazol-4-yl)methyl]piperidin-3-amine
CID 113237556
1,4-dipentylpyrazole
CID 70562897
ethyl 4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxylate
CID 64829987
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
4-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]cyclohexane-1-carboxamide
CID 64829980
N-[[1-(cyclobutylmethyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 65460455

Frequently Asked Questions

What is the IUPAC name of N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine (CID 55110496) is N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine is CCCCCCCn1cc(CNC2CC2)cn1.
What is the InChIKey of N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is JQCAHOKYNSAPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-2-3-4-5-6-9-17-12-13(11-16-17)10-15-14-7-8-14/h11-12,14-15H,2-10H2,1H3.
What are the key properties of N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 235.37 g/mol, XLogP of 3.11, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-heptylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 55110496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).