N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine

C17H31N3 — CID 66440539

IUPACN-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnn(C2CCCCCC2)c1C(C)C
InChIInChI=1S/C17H31N3/c1-13(2)17-15(11-18-14(3)4)12-19-20(17)16-9-7-5-6-8-10-16/h12-14,16,18H,5-11H2,1-4H3
InChIKeyWIAIWIXPETZOFO-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.40
Rot. Bonds5

About N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine

N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine (PubChem CID 66440539) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
PubChem CID66440539
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC NameN-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cnn(C2CCCCCC2)c1C(C)C
InChIInChI=1S/C17H31N3/c1-13(2)17-15(11-18-14(3)4)12-19-20(17)16-9-7-5-6-8-10-16/h12-14,16,18H,5-11H2,1-4H3
InChIKeyWIAIWIXPETZOFO-UHFFFAOYSA-N
XLogP4.40
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)-N-methylmethanamine
CID 66442749
N-[(1-cycloheptyl-5-propylpyrazol-4-yl)methyl]propan-2-amine
CID 66440336
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
N-[(1-ethyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 66440323
1-cyclohexyl-5-propan-2-ylpyrazole-4-carbaldehyde
CID 83889568
4-(bromomethyl)-1-cyclohexyl-5-(difluoromethyl)pyrazole
CID 66439455
N-[[1-cyclohexyl-5-(difluoromethyl)pyrazol-4-yl]methyl]propan-1-amine
CID 66441544
[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methanol
CID 66438121
N-[(2-cyclobutylpyrazol-3-yl)methyl]propan-2-amine
CID 165443973
1-cyclohexyl-6-propan-2-yl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82524126
1-(1-cycloheptyl-5-methylpyrazol-4-yl)-N-ethylethanamine
CID 61270593

Frequently Asked Questions

What is the IUPAC name of N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine (CID 66440539) is N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine is CC(C)NCc1cnn(C2CCCCCC2)c1C(C)C.
What is the InChIKey of N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is WIAIWIXPETZOFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-13(2)17-15(11-18-14(3)4)12-19-20(17)16-9-7-5-6-8-10-16/h12-14,16,18H,5-11H2,1-4H3.
What are the key properties of N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine?
N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 277.46 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cycloheptyl-5-propan-2-ylpyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 66440539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).