[5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate

C10H7F3N4O3 — CID 70427619

IUPAC[5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate
SMILESNc1c(OC(=O)O)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H7F3N4O3/c11-10(12,13)5-1-2-7(15-3-5)17-8(14)6(4-16-17)20-9(18)19/h1-4H,14H2,(H,18,19)
InChIKeyIIQBMDCLZQGEBS-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.93
Rot. Bonds2

About [5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate

[5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate (PubChem CID 70427619) has the molecular formula C10H7F3N4O3 and a molecular weight of 288.19 g/mol. Its IUPAC name is [5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate.

Molecular Properties

Compound Name[5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate
PubChem CID70427619
Molecular FormulaC10H7F3N4O3
Molecular Weight288.19 g/mol
Exact Mass288.05
IUPAC Name[5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate
SMILESNc1c(OC(=O)O)cnn1-c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C10H7F3N4O3/c11-10(12,13)5-1-2-7(15-3-5)17-8(14)6(4-16-17)20-9(18)19/h1-4H,14H2,(H,18,19)
InChIKeyIIQBMDCLZQGEBS-UHFFFAOYSA-N
XLogP1.93
TPSA103.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(5-amino-1-phenylpyrazol-4-yl) hydrogen carbonate
CID 70483568
[5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 87445971
N-methoxy-N,5-dimethyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 46577649
2,2,2-trifluoroacetic acid;(1S)-1-[2-[5-(trifluoromethyl)-2-pyridinyl]-1,2,4-triazol-3-yl]ethanamine
CID 175898071
4,5-dichloro-2-[5-(trifluoromethyl)-2-pyridinyl]pyridazin-3-one
CID 7064019
4-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylic acid
CID 107345897
[2-(carbamoylamino)-2-oxoethyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 31211449
(2R)-2-[[5-propan-2-yl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119369745
N-ethyl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 25331750
2,2,2-trifluoroethyl 4-[5-(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 47085107
5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-3-amine
CID 25248264
2-(triazol-2-yl)-5-(trifluoromethyl)pyridine
CID 102162192

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate?
The IUPAC name of [5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate (CID 70427619) is [5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate.
What is the SMILES notation for [5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate?
The canonical SMILES for [5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate is Nc1c(OC(=O)O)cnn1-c1ccc(C(F)(F)F)cn1.
What is the InChIKey of [5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate?
The InChIKey is IIQBMDCLZQGEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N4O3/c11-10(12,13)5-1-2-7(15-3-5)17-8(14)6(4-16-17)20-9(18)19/h1-4H,14H2,(H,18,19).
What are the key properties of [5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate?
[5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate has a molecular weight of 288.19 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-amino-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl] hydrogen carbonate is sourced from PubChem (CID 70427619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).