4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide

C10H16F2N4O2 — CID 114152457

IUPAC4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCC(F)(F)CO)c1N
InChIInChI=1S/C10H16F2N4O2/c1-3-6-7(13)8(16(2)15-6)9(18)14-4-10(11,12)5-17/h17H,3-5,13H2,1-2H3,(H,14,18)
InChIKeyWEIHQNDRQMKRKT-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.08
Rot. Bonds5

About 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 114152457) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID114152457
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCC(F)(F)CO)c1N
InChIInChI=1S/C10H16F2N4O2/c1-3-6-7(13)8(16(2)15-6)9(18)14-4-10(11,12)5-17/h17H,3-5,13H2,1-2H3,(H,14,18)
InChIKeyWEIHQNDRQMKRKT-UHFFFAOYSA-N
XLogP-0.08
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-5-tert-butyl-N-(1-hydroxy-2-methylpropan-2-yl)-1-pentylpyrazole-3-carboxamide
CID 162670402
4-amino-5-ethyl-1-(2-methoxyethyl)-1H-Pyrazole-3-carboxamide
CID 11264312
4-Amino-5-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-3-carboxamide
CID 58935516
4-Amino-5-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-3-carboxamide
CID 58935662
4-Amino-3-ethyl-1-[1-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
CID 68889746
4-Amino-1-(2-hydroxyethyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 70324440
4-amino-5-ethyl-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]-1H-pyrazole-3-carboxamide
CID 62082527
4-amino-N,3-diethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 66116752
4-amino-N-cyclopropyl-3-ethyl-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 66116753
4-amino-3-ethyl-1-methyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
CID 66116762
4-amino-3-ethyl-1-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]pyrazole-5-carboxamide
CID 66116766
4-amino-3-ethyl-N,1-dimethyl-N-(3,3,3-trifluoropropyl)pyrazole-5-carboxamide
CID 66116982

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 114152457) is 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCC(F)(F)CO)c1N.
What is the InChIKey of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is WEIHQNDRQMKRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-3-6-7(13)8(16(2)15-6)9(18)14-4-10(11,12)5-17/h17H,3-5,13H2,1-2H3,(H,14,18).
What are the key properties of 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 262.26 g/mol, XLogP of -0.08, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,2-difluoro-3-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 114152457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).