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

C10H16F2N4O2 — CID 114092850

IUPAC4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCC(O)C(F)F)c1N
InChIInChI=1S/C10H16F2N4O2/c1-3-5-7(13)8(16(2)15-5)10(18)14-4-6(17)9(11)12/h6,9,17H,3-4,13H2,1-2H3,(H,14,18)
InChIKeyKLRPPLPZXPVJBW-UHFFFAOYSA-N
MW262.26 g/mol
LogP-0.08
Rot. Bonds5

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

4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 114092850) has the molecular formula C10H16F2N4O2 and a molecular weight of 262.26 g/mol. Its IUPAC name is 4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID114092850
Molecular FormulaC10H16F2N4O2
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Name4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1nn(C)c(C(=O)NCC(O)C(F)F)c1N
InChIInChI=1S/C10H16F2N4O2/c1-3-5-7(13)8(16(2)15-5)10(18)14-4-6(17)9(11)12/h6,9,17H,3-4,13H2,1-2H3,(H,14,18)
InChIKeyKLRPPLPZXPVJBW-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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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide (CID 114092850) is 4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1nn(C)c(C(=O)NCC(O)C(F)F)c1N.
What is the InChIKey of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is KLRPPLPZXPVJBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O2/c1-3-5-7(13)8(16(2)15-5)10(18)14-4-6(17)9(11)12/h6,9,17H,3-4,13H2,1-2H3,(H,14,18).
What are the key properties of 4-amino-N-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(3,3-difluoro-2-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-(3,3-difluoro-2-hydroxypropyl)-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 114092850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).