N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

C12H18F3N3 — CID 43730464

IUPACN-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1nccc1CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3/c1-18-11(6-7-17-18)8-16-10-4-2-9(3-5-10)12(13,14)15/h6-7,9-10,16H,2-5,8H2,1H3
InChIKeyNABWNYUXTCBULX-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.63
Rot. Bonds3

About N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine

N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 43730464) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID43730464
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCn1nccc1CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3/c1-18-11(6-7-17-18)8-16-10-4-2-9(3-5-10)12(13,14)15/h6-7,9-10,16H,2-5,8H2,1H3
InChIKeyNABWNYUXTCBULX-UHFFFAOYSA-N
XLogP2.63
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine (CID 43730464) is N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is Cn1nccc1CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is NABWNYUXTCBULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-18-11(6-7-17-18)8-16-10-4-2-9(3-5-10)12(13,14)15/h6-7,9-10,16H,2-5,8H2,1H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine?
N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 261.29 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 43730464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).