N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine

C15H26ClN3 — CID 106010533

IUPACN-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine
SMILESCCc1nn(C)c(CNCCCC2CCCC2)c1Cl
InChIInChI=1S/C15H26ClN3/c1-3-13-15(16)14(19(2)18-13)11-17-10-6-9-12-7-4-5-8-12/h12,17H,3-11H2,1-2H3
InChIKeyQPZUOWVNBPDHET-UHFFFAOYSA-N
MW283.85 g/mol
LogP3.70
Rot. Bonds7

About N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine

N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine (PubChem CID 106010533) has the molecular formula C15H26ClN3 and a molecular weight of 283.85 g/mol. Its IUPAC name is N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine
PubChem CID106010533
Molecular FormulaC15H26ClN3
Molecular Weight283.85 g/mol
Exact Mass283.18
IUPAC NameN-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine
SMILESCCc1nn(C)c(CNCCCC2CCCC2)c1Cl
InChIInChI=1S/C15H26ClN3/c1-3-13-15(16)14(19(2)18-13)11-17-10-6-9-12-7-4-5-8-12/h12,17H,3-11H2,1-2H3
InChIKeyQPZUOWVNBPDHET-UHFFFAOYSA-N
XLogP3.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.85
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-3-methyl-1-(2-methylpropyl)-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71756122
5-chloro-1,3-dimethyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 71758738
4-Chloro-1-methyl-5-pyrrolidin-2-yl-3-(trifluoromethyl)pyrazole
CID 117670184
1-[4-chloro-1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-methylethanamine
CID 147015112
1-[4-chloro-1-methyl-5-(trifluoromethyl)pyrazol-3-yl]-N-methylethanamine
CID 148793042
1-[4-Chloro-1-propan-2-yl-3-(trifluoromethyl)pyrazol-5-yl]ethanamine
CID 153038818
3-(4-Chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl)propan-1-amine
CID 19616930
1-(4-Chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluorobutan-2-amine
CID 65855209
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-2-amine
CID 65855415
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-ethyl-4,4,4-trifluorobutan-2-amine
CID 65855626
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-N-propylbutan-2-amine
CID 65855828
1-[(4-Chloro-1,3-dimethylpyrazol-5-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 65863161

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine?
The IUPAC name of N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine (CID 106010533) is N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine.
What is the SMILES notation for N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine?
The canonical SMILES for N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine is CCc1nn(C)c(CNCCCC2CCCC2)c1Cl.
What is the InChIKey of N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine?
The InChIKey is QPZUOWVNBPDHET-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26ClN3/c1-3-13-15(16)14(19(2)18-13)11-17-10-6-9-12-7-4-5-8-12/h12,17H,3-11H2,1-2H3.
What are the key properties of N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine?
N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine has a molecular weight of 283.85 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-ethyl-1-methylpyrazol-5-yl)methyl]-3-cyclopentylpropan-1-amine is sourced from PubChem (CID 106010533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).