2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine

C14H25N3 — CID 103131763

IUPAC2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1ccn(C)n1
InChIInChI=1S/C14H25N3/c1-3-10-15-13-8-6-4-5-7-12(13)14-9-11-17(2)16-14/h9,11-13,15H,3-8,10H2,1-2H3
InChIKeyAQKONBLFWPBWGT-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.84
Rot. Bonds4

About 2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine

2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine (PubChem CID 103131763) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine
PubChem CID103131763
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1ccn(C)n1
InChIInChI=1S/C14H25N3/c1-3-10-15-13-8-6-4-5-7-12(13)14-9-11-17(2)16-14/h9,11-13,15H,3-8,10H2,1-2H3
InChIKeyAQKONBLFWPBWGT-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
CID 116506679
N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine
CID 114690150
2,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpiperidin-4-amine
CID 79779697
3-cyclopentyl-1-methylpyrazole
CID 23300003
N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine
CID 114690135
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174
2-methyl-N-[[2-(1-methylpyrazol-3-yl)cyclopentyl]methyl]propan-2-amine
CID 103132618
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
N-propyl-2-thiophen-2-ylcyclohexan-1-amine
CID 62603861
N-[[2-(1-methylpyrazol-3-yl)cyclobutyl]methyl]cyclopropanamine
CID 103132567
N-[2-(1-methylpyrazol-3-yl)ethyl]-2-propan-2-ylcyclohexan-1-amine
CID 113434855

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine (CID 103131763) is 2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1c1ccn(C)n1.
What is the InChIKey of 2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine?
The InChIKey is AQKONBLFWPBWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-3-10-15-13-8-6-4-5-7-12(13)14-9-11-17(2)16-14/h9,11-13,15H,3-8,10H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine?
2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 103131763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).