2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide

C10H13F2N3O — CID 122562469

IUPAC2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
SMILESO=C(CC1CC1(F)F)NCCc1ccn[nH]1
InChIInChI=1S/C10H13F2N3O/c11-10(12)6-7(10)5-9(16)13-3-1-8-2-4-14-15-8/h2,4,7H,1,3,5-6H2,(H,13,16)(H,14,15)
InChIKeyGXZIYRMACXAXPP-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.11
Rot. Bonds5

About 2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide

2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide (PubChem CID 122562469) has the molecular formula C10H13F2N3O and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
PubChem CID122562469
Molecular FormulaC10H13F2N3O
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
SMILESO=C(CC1CC1(F)F)NCCc1ccn[nH]1
InChIInChI=1S/C10H13F2N3O/c11-10(12)6-7(10)5-9(16)13-3-1-8-2-4-14-15-8/h2,4,7H,1,3,5-6H2,(H,13,16)(H,14,15)
InChIKeyGXZIYRMACXAXPP-UHFFFAOYSA-N
XLogP1.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N-[2-(1H-pyrazol-5-yl)ethyl]butanamide
CID 110731759
N-[[(2S,5R)-1-(cyclopropylmethyl)-5-[2-oxo-2-[2-(1H-pyrazol-5-yl)ethylamino]ethyl]pyrrolidin-2-yl]methyl]cyclopentanecarboxamide
CID 171389119
2-cyclobutyl-N-(1H-pyrazol-5-ylmethyl)acetamide
CID 103706823
4-methyl-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731764
4-chloro-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 110731802
(4R)-4-(4-methylpiperazin-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]pentanamide
CID 125441014
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide
CID 122558708
N-[2-(1H-pyrazol-5-yl)ethyl]pyridine-2-carboxamide
CID 110745166
2-[(1S)-2,2-bis(4-fluorophenyl)cyclopropyl]-N-(4-pyridin-3-ylbutyl)acetamide
CID 54241832
N-ethyl-2-(1H-pyrazol-5-yl)ethanamine
CID 57167438
(2R)-2-phenyl-N-[2-(1H-pyrazol-5-yl)ethyl]spiro[2.4]heptane-2-carboxamide
CID 126443610
1-(4-fluorophenyl)-N-(1H-pyrazol-5-ylmethyl)cyclopropane-1-carboxamide
CID 60976922

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide (CID 122562469) is 2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide is O=C(CC1CC1(F)F)NCCc1ccn[nH]1.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide?
The InChIKey is GXZIYRMACXAXPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O/c11-10(12)6-7(10)5-9(16)13-3-1-8-2-4-14-15-8/h2,4,7H,1,3,5-6H2,(H,13,16)(H,14,15).
What are the key properties of 2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide?
2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide has a molecular weight of 229.23 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-N-[2-(1H-pyrazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 122562469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).