2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol

C15H27N3O — CID 62713391

IUPAC2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol
SMILESCCCNCc1cnn(C2CCCCCC2O)c1C
InChIInChI=1S/C15H27N3O/c1-3-9-16-10-13-11-17-18(12(13)2)14-7-5-4-6-8-15(14)19/h11,14-16,19H,3-10H2,1-2H3
InChIKeyYSXMPPQMMBNMDU-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.56
Rot. Bonds5

About 2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol

2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol (PubChem CID 62713391) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol.

Molecular Properties

Compound Name2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol
PubChem CID62713391
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol
SMILESCCCNCc1cnn(C2CCCCCC2O)c1C
InChIInChI=1S/C15H27N3O/c1-3-9-16-10-13-11-17-18(12(13)2)14-7-5-4-6-8-15(14)19/h11,14-16,19H,3-10H2,1-2H3
InChIKeyYSXMPPQMMBNMDU-UHFFFAOYSA-N
XLogP2.56
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol?
The IUPAC name of 2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol (CID 62713391) is 2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol.
What is the SMILES notation for 2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol?
The canonical SMILES for 2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol is CCCNCc1cnn(C2CCCCCC2O)c1C.
What is the InChIKey of 2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol?
The InChIKey is YSXMPPQMMBNMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-9-16-10-13-11-17-18(12(13)2)14-7-5-4-6-8-15(14)19/h11,14-16,19H,3-10H2,1-2H3.
What are the key properties of 2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol?
2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol has a molecular weight of 265.40 g/mol, XLogP of 2.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-4-(propylaminomethyl)pyrazol-1-yl]cycloheptan-1-ol is sourced from PubChem (CID 62713391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).