1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine

C14H25N3 — CID 65086253

IUPAC1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2cnn(C)c2)CC1
InChIInChI=1S/C14H25N3/c1-3-5-12-6-4-8-14(15,9-7-12)13-10-16-17(2)11-13/h10-12H,3-9,15H2,1-2H3
InChIKeyHRZDSIQHFIQQKN-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.95
Rot. Bonds3

About 1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine

1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine (PubChem CID 65086253) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine
PubChem CID65086253
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine
SMILESCCCC1CCCC(N)(c2cnn(C)c2)CC1
InChIInChI=1S/C14H25N3/c1-3-5-12-6-4-8-14(15,9-7-12)13-10-16-17(2)11-13/h10-12H,3-9,15H2,1-2H3
InChIKeyHRZDSIQHFIQQKN-UHFFFAOYSA-N
XLogP2.95
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine (CID 65086253) is 1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine is CCCC1CCCC(N)(c2cnn(C)c2)CC1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine?
The InChIKey is HRZDSIQHFIQQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-5-12-6-4-8-14(15,9-7-12)13-10-16-17(2)11-13/h10-12H,3-9,15H2,1-2H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine?
1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-4-propylcycloheptan-1-amine is sourced from PubChem (CID 65086253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).