N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide

C10H13F2N3O2 — CID 146086981

IUPACN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)C1CCCO1
InChIInChI=1S/C10H13F2N3O2/c1-5-7(8(9(11)12)15-14-5)13-10(16)6-3-2-4-17-6/h6,9H,2-4H2,1H3,(H,13,16)(H,14,15)
InChIKeySXVZVEHDPFBHEN-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.77
Rot. Bonds3

About N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide

N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide (PubChem CID 146086981) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide
PubChem CID146086981
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC NameN-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide
SMILESCc1[nH]nc(C(F)F)c1NC(=O)C1CCCO1
InChIInChI=1S/C10H13F2N3O2/c1-5-7(8(9(11)12)15-14-5)13-10(16)6-3-2-4-17-6/h6,9H,2-4H2,1H3,(H,13,16)(H,14,15)
InChIKeySXVZVEHDPFBHEN-UHFFFAOYSA-N
XLogP1.77
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide?
The IUPAC name of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide (CID 146086981) is N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide is Cc1[nH]nc(C(F)F)c1NC(=O)C1CCCO1.
What is the InChIKey of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide?
The InChIKey is SXVZVEHDPFBHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c1-5-7(8(9(11)12)15-14-5)13-10(16)6-3-2-4-17-6/h6,9H,2-4H2,1H3,(H,13,16)(H,14,15).
What are the key properties of N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide?
N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide has a molecular weight of 245.23 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(difluoromethyl)-5-methyl-1H-pyrazol-4-yl]oxolane-2-carboxamide is sourced from PubChem (CID 146086981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).