N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine

C14H25N3 — CID 64687559

IUPACN-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
SMILESCC(C)n1ccc(CNC2CCCCCC2)n1
InChIInChI=1S/C14H25N3/c1-12(2)17-10-9-14(16-17)11-15-13-7-5-3-4-6-8-13/h9-10,12-13,15H,3-8,11H2,1-2H3
InChIKeyBDSLUCINKWSDTL-UHFFFAOYSA-N
MW235.38 g/mol
LogP3.28
Rot. Bonds4

About N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine

N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine (PubChem CID 64687559) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine.

Molecular Properties

Compound NameN-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
PubChem CID64687559
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC NameN-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine
SMILESCC(C)n1ccc(CNC2CCCCCC2)n1
InChIInChI=1S/C14H25N3/c1-12(2)17-10-9-14(16-17)11-15-13-7-5-3-4-6-8-13/h9-10,12-13,15H,3-8,11H2,1-2H3
InChIKeyBDSLUCINKWSDTL-UHFFFAOYSA-N
XLogP3.28
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclobutanamine
CID 64771100
4-methyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64771439
1,1-dioxo-N-[(1-propan-2-ylpyrazol-3-yl)methyl]thian-3-amine
CID 64772175
N-[(1-propan-2-ylpyrazol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 64772705
4-[(1-propan-2-ylpyrazol-3-yl)methylamino]pyrrolidin-2-one
CID 106189037
1-cyclohexyl-2-(1-propan-2-ylpyrazol-3-yl)ethanol
CID 64770987
N-[[1-(1-propan-2-ylpyrazol-3-yl)triazol-4-yl]methyl]cyclopropanamine
CID 114251117
N-[[3-[(1-propan-2-ylpyrazol-3-yl)methoxy]phenyl]methyl]cyclopropanamine
CID 64771424
3-[(1-propan-2-ylpyrazol-3-yl)methyl]-N-propylcycloheptan-1-amine
CID 64801922
2-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 64772657
1-(1-methylpiperidin-2-yl)-N-[(1-propan-2-ylpyrazol-3-yl)methyl]methanamine
CID 64770922
N-ethyl-3-[(1-propan-2-ylpyrazol-3-yl)methyl]cyclohexan-1-amine
CID 64801340

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine?
The IUPAC name of N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine (CID 64687559) is N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine.
What is the SMILES notation for N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine?
The canonical SMILES for N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine is CC(C)n1ccc(CNC2CCCCCC2)n1.
What is the InChIKey of N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine?
The InChIKey is BDSLUCINKWSDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-12(2)17-10-9-14(16-17)11-15-13-7-5-3-4-6-8-13/h9-10,12-13,15H,3-8,11H2,1-2H3.
What are the key properties of N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine?
N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine has a molecular weight of 235.38 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylpyrazol-3-yl)methyl]cycloheptanamine is sourced from PubChem (CID 64687559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).