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

C15H26ClN3 — CID 114667328

IUPAC1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H26ClN3/c1-11(2)19-15(14(16)10-18-19)13-8-6-4-5-7-12(13)9-17-3/h10-13,17H,4-9H2,1-3H3
InChIKeyKNTHKYAADMGFDV-UHFFFAOYSA-N
MW283.85 g/mol
LogP4.00
Rot. Bonds4

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

1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine (PubChem CID 114667328) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is 1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine
PubChem CID114667328
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC Name1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine
SMILESCNCC1CCCCCC1c1c(Cl)cnn1C(C)C
InChIInChI=1S/C15H26ClN3/c1-11(2)19-15(14(16)10-18-19)13-8-6-4-5-7-12(13)9-17-3/h10-13,17H,4-9H2,1-3H3
InChIKeyKNTHKYAADMGFDV-UHFFFAOYSA-N
XLogP4.00
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]propan-2-amine
CID 114667230
N-[[2-(4-bromo-1-propan-2-ylpyrazol-5-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 114667269
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cycloheptyl]methyl]cyclopropanamine
CID 114667373
1-[2-(4-bromo-1-methylpyrazol-5-yl)cyclohexyl]-N-methylmethanamine
CID 114667200
N-[[2-(4-chloro-1-ethylpyrazol-5-yl)cyclohexyl]methyl]cyclopropanamine
CID 114667254
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine
CID 114667107
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-ol
CID 114665091
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 114667176
1-[2-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]cycloheptyl]-N-methylmethanamine
CID 114667326
3-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methylcyclopentan-1-one
CID 114663690
N-methyl-1-[2-(4-propan-2-ylphenyl)cyclohexyl]methanamine
CID 81028814
1-[2-(4-bromo-1-ethylpyrazol-5-yl)cyclopentyl]-N-methylmethanamine
CID 114667101

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine?
The IUPAC name of 1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine (CID 114667328) is 1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine.
What is the SMILES notation for 1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine?
The canonical SMILES for 1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine is CNCC1CCCCCC1c1c(Cl)cnn1C(C)C.
What is the InChIKey of 1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine?
The InChIKey is KNTHKYAADMGFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-11(2)19-15(14(16)10-18-19)13-8-6-4-5-7-12(13)9-17-3/h10-13,17H,4-9H2,1-3H3.
What are the key properties of 1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine?
1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine has a molecular weight of 283.85 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chloro-1-propan-2-ylpyrazol-5-yl)cycloheptyl]-N-methylmethanamine is sourced from PubChem (CID 114667328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).