tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate

C14H21F3N4O2 — CID 138047230

IUPACtert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn(C2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)20-10-8-19-21(11(10)14(15,16)17)9-4-6-18-7-5-9/h8-9,18H,4-7H2,1-3H3,(H,20,22)
InChIKeyHKKQUWVGKVQRFC-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.17
Rot. Bonds2

About tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate

tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate (PubChem CID 138047230) has the molecular formula C14H21F3N4O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
PubChem CID138047230
Molecular FormulaC14H21F3N4O2
Molecular Weight334.34 g/mol
Exact Mass334.16
IUPAC Nametert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate
SMILESCC(C)(C)OC(=O)Nc1cnn(C2CCNCC2)c1C(F)(F)F
InChIInChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)20-10-8-19-21(11(10)14(15,16)17)9-4-6-18-7-5-9/h8-9,18H,4-7H2,1-3H3,(H,20,22)
InChIKeyHKKQUWVGKVQRFC-UHFFFAOYSA-N
XLogP3.17
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-(5-(difluoromethyl)-1-(piperidin-4-yl)-1H-pyrazol-4-yl)carbamate
CID 138005997
tert-butyl N-(5-ethynyl-1-methyl-1H-pyrazol-4-yl)carbamate
CID 155820579
tert-Butyl (3S)-3-{[3-(trifluoromethyl)-1H-pyrazol-1-yl]methyl}piperazine-1-carboxylate
CID 57744184
tert-butyl 4-(4-amino-1H-pyrazol-1-yl)-3-fluoropiperidine-1-carboxylate
CID 118155984
1-[(2R,4S)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288782
Tert-butyl 4,4-difluoro-3-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 118288900
1-[(2R,4R)-2-(difluoromethyl)piperidin-4-yl]-5-methylpyrazol-4-amine
CID 118288913
Tert-butyl 3-(4-amino-5-methylpyrazol-1-yl)-4,4-difluoropiperidine-1-carboxylate
CID 118288973
Tert-butyl 3,3-difluoro-4-(5-methyl-4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 118288982
tert-butyl (6S)-3-(3,3-difluoropyrrolidin-1-yl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419907
tert-butyl 3-(4,4-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419938
tert-butyl 3-(3,3-difluoropiperidin-1-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxylate
CID 122419957

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate?
The IUPAC name of tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate (CID 138047230) is tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate is CC(C)(C)OC(=O)Nc1cnn(C2CCNCC2)c1C(F)(F)F.
What is the InChIKey of tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate?
The InChIKey is HKKQUWVGKVQRFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4O2/c1-13(2,3)23-12(22)20-10-8-19-21(11(10)14(15,16)17)9-4-6-18-7-5-9/h8-9,18H,4-7H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate?
tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate has a molecular weight of 334.34 g/mol, XLogP of 3.17, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-piperidin-4-yl-5-(trifluoromethyl)pyrazol-4-yl]carbamate is sourced from PubChem (CID 138047230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).