1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide

C12H15F2N5O2 — CID 164637106

IUPAC1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](CO)c2ccnn2C)nn1C(F)F
InChIInChI=1S/C12H15F2N5O2/c1-7-5-8(17-19(7)12(13)14)11(21)16-9(6-20)10-3-4-15-18(10)2/h3-5,9,12,20H,6H2,1-2H3,(H,16,21)/t9-/m0/s1
InChIKeyOMPGYLYAOKETDQ-VIFPVBQESA-N
MW299.28 g/mol
LogP0.78
Rot. Bonds5

About 1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide

1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide (PubChem CID 164637106) has the molecular formula C12H15F2N5O2 and a molecular weight of 299.28 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide
PubChem CID164637106
Molecular FormulaC12H15F2N5O2
Molecular Weight299.28 g/mol
Exact Mass299.12
IUPAC Name1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)N[C@@H](CO)c2ccnn2C)nn1C(F)F
InChIInChI=1S/C12H15F2N5O2/c1-7-5-8(17-19(7)12(13)14)11(21)16-9(6-20)10-3-4-15-18(10)2/h3-5,9,12,20H,6H2,1-2H3,(H,16,21)/t9-/m0/s1
InChIKeyOMPGYLYAOKETDQ-VIFPVBQESA-N
XLogP0.78
TPSA84.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide (CID 164637106) is 1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)N[C@@H](CO)c2ccnn2C)nn1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is OMPGYLYAOKETDQ-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15F2N5O2/c1-7-5-8(17-19(7)12(13)14)11(21)16-9(6-20)10-3-4-15-18(10)2/h3-5,9,12,20H,6H2,1-2H3,(H,16,21)/t9-/m0/s1.
What are the key properties of 1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide?
1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 299.28 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[(1R)-2-hydroxy-1-(2-methylpyrazol-3-yl)ethyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 164637106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).