4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

C11H17FN4O — CID 154457523

IUPAC4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(C[C@]2(F)CCNC2)c(C(N)=O)nn1C
InChIInChI=1S/C11H17FN4O/c1-7-8(5-11(12)3-4-14-6-11)9(10(13)17)15-16(7)2/h14H,3-6H2,1-2H3,(H2,13,17)/t11-/m1/s1
InChIKeyOKWIXFMRCWQOHQ-LLVKDONJSA-N
MW240.28 g/mol
LogP0.07
Rot. Bonds3

About 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide

4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (PubChem CID 154457523) has the molecular formula C11H17FN4O and a molecular weight of 240.28 g/mol. Its IUPAC name is 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
PubChem CID154457523
Molecular FormulaC11H17FN4O
Molecular Weight240.28 g/mol
Exact Mass240.14
IUPAC Name4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide
SMILESCc1c(C[C@]2(F)CCNC2)c(C(N)=O)nn1C
InChIInChI=1S/C11H17FN4O/c1-7-8(5-11(12)3-4-14-6-11)9(10(13)17)15-16(7)2/h14H,3-6H2,1-2H3,(H2,13,17)/t11-/m1/s1
InChIKeyOKWIXFMRCWQOHQ-LLVKDONJSA-N
XLogP0.07
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-Cyclopentyl-3-ethyl-1,4,5,6-tetrahydro-7H-pyrazolo[3,4-C]pyridin-7-one
CID 10823542
N-cyclopentyl-1-methyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 28274917
N,N-dimethyl-1-(3,3,3-trifluoropropyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118759603
N-cyclopentyl-1-isobutyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide
CID 118759604
13-Methyl-11-(trifluoromethyl)-4,8,9,12,13-pentazatricyclo[7.5.0.02,7]tetradeca-1,7,11-trien-14-one
CID 141725199
(5R)-11-fluoro-5,13-dimethyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 141751239
(5R,11S)-11-fluoro-5,13-dimethyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 141751319
Ethane;5-ethyl-1-methyl-4-(3,3,3-trifluoropropyl)pyrazole-3-carboxamide
CID 145225023
(5R,11R)-11-fluoro-5,13-dimethyl-4,8,9,13-tetrazatricyclo[7.5.0.02,7]tetradeca-1,7-dien-14-one
CID 155342772
3-(1,1-Difluoroethyl)-1-[[1-(difluoromethyl)-3,3-difluorocyclobutyl]methyl]-4-methylpyrazole-5-carboxamide
CID 166528369
5-Cyclopropyl-2-[[3-(difluoromethyl)cyclobutyl]methyl]-4-methylpyrazole-3-carboxamide
CID 166528407
3-(1,1-Difluoroethyl)-1-[(3,3-difluoro-1-methylcyclobutyl)methyl]-4-methylpyrazole-5-carboxamide
CID 166528536

Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide (CID 154457523) is 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is Cc1c(C[C@]2(F)CCNC2)c(C(N)=O)nn1C.
What is the InChIKey of 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
The InChIKey is OKWIXFMRCWQOHQ-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17FN4O/c1-7-8(5-11(12)3-4-14-6-11)9(10(13)17)15-16(7)2/h14H,3-6H2,1-2H3,(H2,13,17)/t11-/m1/s1.
What are the key properties of 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide?
4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide has a molecular weight of 240.28 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-fluoropyrrolidin-3-yl]methyl]-1,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 154457523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).