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

C10H13F2N3O3 — CID 175819576

IUPACN-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
SMILESC[C@H](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)/t6-/m1/s1
InChIKeyRSPBGCXTVLKSCK-ZCFIWIBFSA-N
MW261.23 g/mol
LogP1.06
Rot. Bonds6

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

N-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide (PubChem CID 175819576) has the molecular formula C10H13F2N3O3 and a molecular weight of 261.23 g/mol. Its IUPAC name is N-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
PubChem CID175819576
Molecular FormulaC10H13F2N3O3
Molecular Weight261.23 g/mol
Exact Mass261.09
IUPAC NameN-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide
SMILESC[C@H](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)/t6-/m1/s1
InChIKeyRSPBGCXTVLKSCK-ZCFIWIBFSA-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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Related Compounds

1-methyl-3-(propan-2-yloxy)-1H-pyrazol-4-amine
CID 66509585
3-(2-methoxyethoxy)-1-methyl-1H-pyrazol-4-amine hydrochloride
CID 102565535
1-methyl-3-(oxetan-3-yloxy)-1H-pyrazol-4-amine
CID 103079232
1-ethyl-3-(3,3,3-trifluoropropoxy)-1H-pyrazol-4-amine
CID 86207946
1-methyl-3-(2,2,2-trifluoroethoxy)-1H-pyrazol-4-amine
CID 66509586
3-(2,2-difluoroethoxy)-1-methyl-1H-pyrazol-4-amine
CID 66509587
1-Methyl-3-(1,1,1-trifluoropropan-2-yloxy)pyrazol-4-amine
CID 103079190
tert-butyl N-[3-(difluoromethoxy)-1-methylpyrazol-4-yl]carbamate
CID 122678085
tert-butyl N-[3-[4-amino-3-(2,2,2-trifluoroethoxy)pyrazol-1-yl]cyclobutyl]carbamate
CID 135342033
3-(difluoromethoxy)-N,1-dimethylpyrazol-4-amine
CID 138481082
[3-Cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-yl]-methoxyazanium
CID 145427880
1-(2,2-Difluoroethyl)-3-isopropoxy-pyrazol-4-amine
CID 145427926

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
The IUPAC name of N-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide (CID 175819576) is N-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide.
What is the SMILES notation for N-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
The canonical SMILES for N-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide is C[C@H](C(F)F)n1cc(NC=O)c(OC2COC2)n1.
What is the InChIKey of N-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
The InChIKey is RSPBGCXTVLKSCK-ZCFIWIBFSA-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)/t6-/m1/s1.
What are the key properties of N-[1-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide?
N-[1-[(2R)-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-[(2R)-1,1-difluoropropan-2-yl]-3-(oxetan-3-yloxy)pyrazol-4-yl]formamide is sourced from PubChem (CID 175819576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).