(1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide

C10H13F2N3O — CID 164632144

IUPAC(1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide
SMILESCCn1nccc1NC(=O)[C@@]1(C)CC1(F)F
InChIInChI=1S/C10H13F2N3O/c1-3-15-7(4-5-13-15)14-8(16)9(2)6-10(9,11)12/h4-5H,3,6H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyFRRXKDQIBTVBKJ-SECBINFHSA-N
MW229.23 g/mol
LogP1.89
Rot. Bonds3

About (1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide

(1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide (PubChem CID 164632144) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is (1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide
PubChem CID164632144
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide
SMILESCCn1nccc1NC(=O)[C@@]1(C)CC1(F)F
InChIInChI=1S/C10H13F2N3O/c1-3-15-7(4-5-13-15)14-8(16)9(2)6-10(9,11)12/h4-5H,3,6H2,1-2H3,(H,14,16)/t9-/m1/s1
InChIKeyFRRXKDQIBTVBKJ-SECBINFHSA-N
XLogP1.89
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide (CID 164632144) is (1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide is CCn1nccc1NC(=O)[C@@]1(C)CC1(F)F.
What is the InChIKey of (1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide?
The InChIKey is FRRXKDQIBTVBKJ-SECBINFHSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-3-15-7(4-5-13-15)14-8(16)9(2)6-10(9,11)12/h4-5H,3,6H2,1-2H3,(H,14,16)/t9-/m1/s1.
What are the key properties of (1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide?
(1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-(2-ethylpyrazol-3-yl)-2,2-difluoro-1-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 164632144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).