(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide

C10H13F2N3O — CID 164642746

IUPAC(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1cn[nH]c1NC(=O)[C@H]1CC1(F)F
InChIInChI=1S/C10H13F2N3O/c1-5(2)6-4-13-15-8(6)14-9(16)7-3-10(7,11)12/h4-5,7H,3H2,1-2H3,(H2,13,14,15,16)/t7-/m1/s1
InChIKeyRHVPOODCBZGVKX-SSDOTTSWSA-N
MW229.23 g/mol
LogP2.13
Rot. Bonds3

About (1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide

(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide (PubChem CID 164642746) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is (1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
PubChem CID164642746
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide
SMILESCC(C)c1cn[nH]c1NC(=O)[C@H]1CC1(F)F
InChIInChI=1S/C10H13F2N3O/c1-5(2)6-4-13-15-8(6)14-9(16)7-3-10(7,11)12/h4-5,7H,3H2,1-2H3,(H2,13,14,15,16)/t7-/m1/s1
InChIKeyRHVPOODCBZGVKX-SSDOTTSWSA-N
XLogP2.13
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide (CID 164642746) is (1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide is CC(C)c1cn[nH]c1NC(=O)[C@H]1CC1(F)F.
What is the InChIKey of (1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
The InChIKey is RHVPOODCBZGVKX-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H13F2N3O/c1-5(2)6-4-13-15-8(6)14-9(16)7-3-10(7,11)12/h4-5,7H,3H2,1-2H3,(H2,13,14,15,16)/t7-/m1/s1.
What are the key properties of (1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide?
(1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide has a molecular weight of 229.23 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-difluoro-N-(4-propan-2-yl-1H-pyrazol-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 164642746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).