N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline

C14H16F3N3 — CID 62648618

IUPACN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline
SMILESCc1[nH]ncc1CCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3/c1-10-11(9-19-20-10)3-2-8-18-13-6-4-12(5-7-13)14(15,16)17/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)
InChIKeyNRHFOMJZIILGPI-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.78
Rot. Bonds5

About N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline

N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline (PubChem CID 62648618) has the molecular formula C14H16F3N3 and a molecular weight of 283.30 g/mol. Its IUPAC name is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline
PubChem CID62648618
Molecular FormulaC14H16F3N3
Molecular Weight283.30 g/mol
Exact Mass283.13
IUPAC NameN-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline
SMILESCc1[nH]ncc1CCCNc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H16F3N3/c1-10-11(9-19-20-10)3-2-8-18-13-6-4-12(5-7-13)14(15,16)17/h4-7,9,18H,2-3,8H2,1H3,(H,19,20)
InChIKeyNRHFOMJZIILGPI-UHFFFAOYSA-N
XLogP3.78
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridine-2,5-diamine
CID 62040677
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-2-(trifluoromethyl)aniline
CID 62312763
1,1,1-trifluoro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]methanesulfonamide
CID 62040916
2-[2-amino-5-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]phenyl]acetonitrile
CID 102624210
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 86776389
1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-nitrobenzene-1,3-diamine
CID 106749219
5-bromo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyridin-2-amine
CID 62040259
2-methyl-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 62041099
N',N'-dimethyl-N-[4-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62648258
2-(difluoromethyl)-1-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]benzene-1,4-diamine
CID 63734281
6-chloro-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
CID 60524007
5-iodo-N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]pyrazin-2-amine
CID 139018458

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline?
The IUPAC name of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline (CID 62648618) is N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline is Cc1[nH]ncc1CCCNc1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline?
The InChIKey is NRHFOMJZIILGPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3/c1-10-11(9-19-20-10)3-2-8-18-13-6-4-12(5-7-13)14(15,16)17/h4-7,9,18H,2-3,8H2,1H3,(H,19,20).
What are the key properties of N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline?
N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline has a molecular weight of 283.30 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-methyl-1H-pyrazol-4-yl)propyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 62648618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).