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

C11H15ClF3N3 — CID 114158900

IUPACN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCn1nc(C)c(Cl)c1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H15ClF3N3/c1-3-18-8(9(12)7(2)17-18)6-16-10(4-5-10)11(13,14)15/h16H,3-6H2,1-2H3
InChIKeyCMDRVRFFLDKQTO-UHFFFAOYSA-N
MW281.71 g/mol
LogP3.05
Rot. Bonds4

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

N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 114158900) has the molecular formula C11H15ClF3N3 and a molecular weight of 281.71 g/mol. Its IUPAC name is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID114158900
Molecular FormulaC11H15ClF3N3
Molecular Weight281.71 g/mol
Exact Mass281.09
IUPAC NameN-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESCCn1nc(C)c(Cl)c1CNC1(C(F)(F)F)CC1
InChIInChI=1S/C11H15ClF3N3/c1-3-18-8(9(12)7(2)17-18)6-16-10(4-5-10)11(13,14)15/h16H,3-6H2,1-2H3
InChIKeyCMDRVRFFLDKQTO-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.71
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-Chloro-3,5-dimethyl-pyrazol-1-yl)-ethylamine hydrochloride
CID 16192641
2-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)ethan-1-amine
CID 6484254
N-(tert-butyl)-2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazolyl]acetamide
CID 744102
N-butyl-2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetamide
CID 4037655
1-[4-chloro-1-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methanamine
CID 71053772
2-[4-Chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-cyclopropylpropanamide
CID 4770262
[4-Chloro-1,2-di(propan-2-yl)-5-(trifluoromethyl)pyrazol-1-ium-3-yl]methanamine
CID 59826472
3-(azidomethyl)-4-chloro-2-propan-2-yl-5-(trifluoromethyl)-1H-pyrazol-2-ium
CID 59826474
1-[[4-Chloro-1-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-ethylurea
CID 59833732
4-Chloro-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 59833740
[4-Chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]methylurea
CID 59833741
1-[4-chloro-2-propan-2-yl-5-(trifluoromethyl)pyrazol-3-yl]-N,N-dimethylmethanamine
CID 59833744

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 114158900) is N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is CCn1nc(C)c(Cl)c1CNC1(C(F)(F)F)CC1.
What is the InChIKey of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is CMDRVRFFLDKQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClF3N3/c1-3-18-8(9(12)7(2)17-18)6-16-10(4-5-10)11(13,14)15/h16H,3-6H2,1-2H3.
What are the key properties of N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 281.71 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 114158900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).