1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide

C14H18FN7O — CID 168824079

IUPAC1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2nc(N3CCNCC3)ncc2F)c(C)c1C(N)=O
InChIInChI=1S/C14H18FN7O/c1-8-11(12(16)23)9(2)22(20-8)13-10(15)7-18-14(19-13)21-5-3-17-4-6-21/h7,17H,3-6H2,1-2H3,(H2,16,23)
InChIKeyHCXHLTLUUWCCBL-UHFFFAOYSA-N
MW319.34 g/mol
LogP-0.07
Rot. Bonds3

About 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide

1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide (PubChem CID 168824079) has the molecular formula C14H18FN7O and a molecular weight of 319.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide
PubChem CID168824079
Molecular FormulaC14H18FN7O
Molecular Weight319.34 g/mol
Exact Mass319.16
IUPAC Name1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide
SMILESCc1nn(-c2nc(N3CCNCC3)ncc2F)c(C)c1C(N)=O
InChIInChI=1S/C14H18FN7O/c1-8-11(12(16)23)9(2)22(20-8)13-10(15)7-18-14(19-13)21-5-3-17-4-6-21/h7,17H,3-6H2,1-2H3,(H2,16,23)
InChIKeyHCXHLTLUUWCCBL-UHFFFAOYSA-N
XLogP-0.07
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.34
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-(dimethylamino)-N-[1-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methyl-5-pyrimidinecarboxamide
CID 72838440
1-ethyl-3-methyl-N-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl}-1H-pyrazole-4-carboxamide
CID 50957701
2-amino-N-[1-(1,3-dimethyl-1H-pyrazol-4-yl)ethyl]-4-methylpyrimidine-5-carboxamide
CID 86284767
N-[(1S)-1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 125440611
1-[6-[4-[(3S)-3-(5-fluoro-3,4-dihydropyridin-3-yl)-3,4-dihydropyrazole-2-carbonyl]piperazin-1-yl]pyrimidin-4-yl]-3,5-dimethylpyrazole-4-carboxamide
CID 166859721
5-methyl-N-{[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]methyl}-1-propyl-1H-pyrazole-4-carboxamide
CID 50972137
2-(dimethylamino)-4-methyl-N-{2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}-5-pyrimidinecarboxamide
CID 72941063
N-ethyl-5-fluoro-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
CID 80857419
4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoro-N-propylpyrimidin-2-amine
CID 80857514
N-ethyl-4-(4-ethyl-3,5-dimethylpyrazol-1-yl)-5-fluoropyrimidin-2-amine
CID 80857685
5-fluoro-N-propyl-4-(3,4,5-trimethylpyrazol-1-yl)pyrimidin-2-amine
CID 80857856
3,5-dimethyl-N-(1-(6-(trifluoromethyl)pyrimidin-4-yl)piperidin-4-yl)-1H-pyrazole-4-carboxamide
CID 91631396

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide (CID 168824079) is 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide is Cc1nn(-c2nc(N3CCNCC3)ncc2F)c(C)c1C(N)=O.
What is the InChIKey of 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide?
The InChIKey is HCXHLTLUUWCCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN7O/c1-8-11(12(16)23)9(2)22(20-8)13-10(15)7-18-14(19-13)21-5-3-17-4-6-21/h7,17H,3-6H2,1-2H3,(H2,16,23).
What are the key properties of 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide?
1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide has a molecular weight of 319.34 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-piperazin-1-ylpyrimidin-4-yl)-3,5-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 168824079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).