[5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol

C15H20F2N4O3S — CID 22499712

IUPAC[5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol
SMILESCCC(C)Nc1c(CO)c(C(F)F)nn1-c1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C15H20F2N4O3S/c1-4-9(2)19-15-11(8-22)13(14(16)17)20-21(15)12-6-5-10(7-18-12)25(3,23)24/h5-7,9,14,19,22H,4,8H2,1-3H3
InChIKeyGCPZPWZRLQQWAX-UHFFFAOYSA-N
MW374.41 g/mol
LogP2.31
Rot. Bonds7

About [5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol

[5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol (PubChem CID 22499712) has the molecular formula C15H20F2N4O3S and a molecular weight of 374.41 g/mol. Its IUPAC name is [5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol
PubChem CID22499712
Molecular FormulaC15H20F2N4O3S
Molecular Weight374.41 g/mol
Exact Mass374.12
IUPAC Name[5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol
SMILESCCC(C)Nc1c(CO)c(C(F)F)nn1-c1ccc(S(C)(=O)=O)cn1
InChIInChI=1S/C15H20F2N4O3S/c1-4-9(2)19-15-11(8-22)13(14(16)17)20-21(15)12-6-5-10(7-18-12)25(3,23)24/h5-7,9,14,19,22H,4,8H2,1-3H3
InChIKeyGCPZPWZRLQQWAX-UHFFFAOYSA-N
XLogP2.31
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazole-4-carbonitrile
CID 22499674
N-butan-2-yl-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-5-amine
CID 22499789
N-[[6-[5-butan-2-ylsulfanyl-4-cyano-3-(difluoromethyl)pyrazol-1-yl]-3-pyridinyl]sulfonyl]acetamide
CID 10159707
2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 18624104
5-(azepan-1-ylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
CID 10296173
2-[3-(difluoromethyl)-5-[4-(furan-2-yl)phenyl]pyrazol-1-yl]-5-methylsulfonylpyridine
CID 20601429
2-[3,5-bis(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 151333347
methanamine;5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226767
2-ethyl-5-methylsulfonylpyridine
CID 70661388
1,1,3,3-tetrafluoro-1-[1-(5-methylsulfonyl-2-pyridinyl)-5-phenylpyrazol-3-yl]propan-2-one
CID 20753401
1-[5-(butan-2-ylamino)-1-(6-methylsulfonyl-3-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 22499538
1-[5-(cyclohexylmethylamino)-1-(5-methylsulfonyl-2-pyridinyl)-3-(trifluoromethyl)pyrazol-4-yl]ethanone
CID 22499765

Frequently Asked Questions

What is the IUPAC name of [5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol (CID 22499712) is [5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol is CCC(C)Nc1c(CO)c(C(F)F)nn1-c1ccc(S(C)(=O)=O)cn1.
What is the InChIKey of [5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol?
The InChIKey is GCPZPWZRLQQWAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O3S/c1-4-9(2)19-15-11(8-22)13(14(16)17)20-21(15)12-6-5-10(7-18-12)25(3,23)24/h5-7,9,14,19,22H,4,8H2,1-3H3.
What are the key properties of [5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol?
[5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol has a molecular weight of 374.41 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butan-2-ylamino)-3-(difluoromethyl)-1-(5-methylsulfonyl-2-pyridinyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 22499712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).