2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine

C10H10FN5O2S — CID 167425768

IUPAC2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine
SMILESNc1nc(-c2cnn(S(=O)(=O)C3CC3)c2)ncc1F
InChIInChI=1S/C10H10FN5O2S/c11-8-4-13-10(15-9(8)12)6-3-14-16(5-6)19(17,18)7-1-2-7/h3-5,7H,1-2H2,(H2,12,13,15)
InChIKeyZQHWIKTYQIIKFR-UHFFFAOYSA-N
MW283.29 g/mol
LogP0.40
Rot. Bonds3

About 2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine

2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine (PubChem CID 167425768) has the molecular formula C10H10FN5O2S and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine
PubChem CID167425768
Molecular FormulaC10H10FN5O2S
Molecular Weight283.29 g/mol
Exact Mass283.05
IUPAC Name2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine
SMILESNc1nc(-c2cnn(S(=O)(=O)C3CC3)c2)ncc1F
InChIInChI=1S/C10H10FN5O2S/c11-8-4-13-10(15-9(8)12)6-3-14-16(5-6)19(17,18)7-1-2-7/h3-5,7H,1-2H2,(H2,12,13,15)
InChIKeyZQHWIKTYQIIKFR-UHFFFAOYSA-N
XLogP0.40
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-fluoro-N-methyl-2-(1-methyl-1H-pyrazol-4-yl)pyrimidin-4-amine
CID 39834687
5-fluoro-4-N-methyl-4-N-[(1-methylpyrazol-4-yl)methyl]pyrimidine-2,4-diamine
CID 80799074
5-Fluoro-2-(1-methylpyrazol-4-yl)pyrimidin-4-amine
CID 130593537
2-[[1-(2-Fluoroethyl)pyrazol-4-yl]methylsulfonyl]-5-methylpyrimidine
CID 146106595
1-(1-fluorocyclopropyl)-N-([1,2,4]triazolo[1,5-a]pyrimidin-7-yl)methanesulfonamide
CID 146141209
3-[[2-(2,2-Difluoropropyl)pyrazolo[3,4-d]pyrimidin-4-yl]amino]-2,2-dimethylpropane-1-sulfonamide
CID 167985040
2-(1-(cyclopropylsulfonyl)-1H-pyrazol-4-yl)pyrimidin-4-amine
CID 90177572
2-(1-ethanesulfonyl-1H-pyrazol-4-yl)-pyrimidin-4-ylamine
CID 90177635
2-(1-Cyclopropylsulfinylpyrazol-4-yl)pyrimidin-4-amine
CID 129271023
2-(1-Cyclopropylsulfanylpyrazol-4-yl)pyrimidin-4-amine
CID 130257206
2-(1-Cyclopropylsulfonylpyrazol-4-yl)pyrimidine
CID 141406573
2-(1-Ethylsulfonylpyrazol-4-yl)pyrimidine
CID 141406632

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine?
The IUPAC name of 2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine (CID 167425768) is 2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine.
What is the SMILES notation for 2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine?
The canonical SMILES for 2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine is Nc1nc(-c2cnn(S(=O)(=O)C3CC3)c2)ncc1F.
What is the InChIKey of 2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine?
The InChIKey is ZQHWIKTYQIIKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O2S/c11-8-4-13-10(15-9(8)12)6-3-14-16(5-6)19(17,18)7-1-2-7/h3-5,7H,1-2H2,(H2,12,13,15).
What are the key properties of 2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine?
2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine has a molecular weight of 283.29 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylsulfonylpyrazol-4-yl)-5-fluoropyrimidin-4-amine is sourced from PubChem (CID 167425768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).