N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide

C10H13F2N3O3 — CID 166513342

IUPACN-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
SMILESCC(C(F)F)n1cc(NC=O)c(OC2COC2)n1
InChIInChI=1S/C10H13F2N3O3/c1-6(9(11)12)15-2-8(13-5-16)10(14-15)18-7-3-17-4-7/h2,5-7,9H,3-4H2,1H3,(H,13,16)
InChIKeyRSPBGCXTVLKSCK-UHFFFAOYSA-N
MW261.23 g/mol
LogP1.06
Rot. Bonds6

About N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide

N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide (PubChem CID 166513342) has the molecular formula C10H13F2N3O3 and a molecular weight of 261.23 g/mol. Its IUPAC name is N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
PubChem CID166513342
Molecular FormulaC10H13F2N3O3
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC NameN-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
SMILESCC(C(F)F)n1cc(NC=O)c(OC2COC2)n1
InChIInChI=1S/C10H13F2N3O3/c1-6(9(11)12)15-2-8(13-5-16)10(14-15)18-7-3-17-4-7/h2,5-7,9H,3-4H2,1H3,(H,13,16)
InChIKeyRSPBGCXTVLKSCK-UHFFFAOYSA-N
XLogP1.06
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
The IUPAC name of N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide (CID 166513342) is N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide.
What is the SMILES notation for N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
The canonical SMILES for N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide is CC(C(F)F)n1cc(NC=O)c(OC2COC2)n1.
What is the InChIKey of N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
The InChIKey is RSPBGCXTVLKSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O3/c1-6(9(11)12)15-2-8(13-5-16)10(14-15)18-7-3-17-4-7/h2,5-7,9H,3-4H2,1H3,(H,13,16).
What are the key properties of N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide has a molecular weight of 261.23 g/mol, XLogP of 1.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,1-difluoropropan-2-yl)-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide is sourced from PubChem (CID 166513342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).