1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine

C15H27N3 — CID 66442749

IUPAC1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1cnn(C2CCCCCC2)c1C(C)C
InChIInChI=1S/C15H27N3/c1-12(2)15-13(10-16-3)11-17-18(15)14-8-6-4-5-7-9-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyHPIWLEBXKPSBOF-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.62
Rot. Bonds4

About 1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine

1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine (PubChem CID 66442749) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
PubChem CID66442749
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
SMILESCNCc1cnn(C2CCCCCC2)c1C(C)C
InChIInChI=1S/C15H27N3/c1-12(2)15-13(10-16-3)11-17-18(15)14-8-6-4-5-7-9-14/h11-12,14,16H,4-10H2,1-3H3
InChIKeyHPIWLEBXKPSBOF-UHFFFAOYSA-N
XLogP3.62
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440539
N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66440943
1-cyclopentyl-5-propan-2-ylpyrazol-4-amine
CID 66440021
1-cyclohexyl-5-propan-2-ylpyrazole-4-carbaldehyde
CID 83889568
4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole
CID 66439455
N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440336
N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441544
[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol
CID 66438121
1-(1-cycloheptylpyrazol-4-yl)-N-methylmethanamine
CID 61272922
1-[1-(4-bromophenyl)-5-propan-2-ylpyrazol-4-yl]-N-methylmethanamine
CID 66441573
1-[5-cyclopropyl-1-(1-cyclopropylethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440958
N-[(1-cycloheptyl-5-ethylpyrazol-4-yl)methyl]-2-methylpropan-2-amine
CID 66441750

Frequently Asked Questions

What is the IUPAC name of 1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine?
The IUPAC name of 1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine (CID 66442749) is 1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine?
The canonical SMILES for 1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine is CNCc1cnn(C2CCCCCC2)c1C(C)C.
What is the InChIKey of 1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine?
The InChIKey is HPIWLEBXKPSBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(2)15-13(10-16-3)11-17-18(15)14-8-6-4-5-7-9-14/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of 1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine?
1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine has a molecular weight of 249.40 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine is sourced from PubChem (CID 66442749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).