3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide

C14H13FN6O — CID 175369199

IUPAC3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(Cc2ccc(-n3cc(F)cn3)nc2)cc1C(N)=O
InChIInChI=1S/C14H13FN6O/c1-20-12(14(16)22)5-11(19-20)4-9-2-3-13(17-6-9)21-8-10(15)7-18-21/h2-3,5-8H,4H2,1H3,(H2,16,22)
InChIKeyFRAGGALBFJWTNQ-UHFFFAOYSA-N
MW300.30 g/mol
LogP0.83
Rot. Bonds4

About 3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide

3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide (PubChem CID 175369199) has the molecular formula C14H13FN6O and a molecular weight of 300.30 g/mol. Its IUPAC name is 3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide
PubChem CID175369199
Molecular FormulaC14H13FN6O
Molecular Weight300.30 g/mol
Exact Mass300.11
IUPAC Name3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide
SMILESCn1nc(Cc2ccc(-n3cc(F)cn3)nc2)cc1C(N)=O
InChIInChI=1S/C14H13FN6O/c1-20-12(14(16)22)5-11(19-20)4-9-2-3-13(17-6-9)21-8-10(15)7-18-21/h2-3,5-8H,4H2,1H3,(H2,16,22)
InChIKeyFRAGGALBFJWTNQ-UHFFFAOYSA-N
XLogP0.83
TPSA91.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.30
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]formamide
CID 142278872
ethane;(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine
CID 145307256
1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanamine;dihydrochloride
CID 146157882
6-(4-fluoropyrazol-1-yl)pyridine-3-carboxylic acid;1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethanone
CID 164997926
3-[(3-fluorophenyl)methyl]-1-methylpyrazole-5-carboxylic acid
CID 115093000
3-ethyl-1-methylpyrazole-5-carboxamide
CID 66119758
5-bromo-N-ethyl-N-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]pyridin-2-amine
CID 166793052
1-methyl-3-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 177051073
N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]propyl]propanamide
CID 175370478
3-(5-fluoro-2-pyridinyl)-1-methylpyrazole-5-carboxamide
CID 140673910
tert-butyl N-[(1S)-1-[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]ethyl]carbamate
CID 146398960
1-(5-formyl-2-pyridinyl)pyrazole-4-carboxamide
CID 80631963

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide (CID 175369199) is 3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide is Cn1nc(Cc2ccc(-n3cc(F)cn3)nc2)cc1C(N)=O.
What is the InChIKey of 3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide?
The InChIKey is FRAGGALBFJWTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN6O/c1-20-12(14(16)22)5-11(19-20)4-9-2-3-13(17-6-9)21-8-10(15)7-18-21/h2-3,5-8H,4H2,1H3,(H2,16,22).
What are the key properties of 3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide?
3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide has a molecular weight of 300.30 g/mol, XLogP of 0.83, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(4-fluoropyrazol-1-yl)-3-pyridinyl]methyl]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 175369199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).