2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

C15H18F2N4O — CID 97334834

IUPAC2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN[C@@H](C)c1cccc(F)c1F
InChIInChI=1S/C15H18F2N4O/c1-8(11-5-4-6-12(16)14(11)17)18-7-13(22)19-15-9(2)20-21-10(15)3/h4-6,8,18H,7H2,1-3H3,(H,19,22)(H,20,21)/t8-/m0/s1
InChIKeyLQWVBOYCXNAZPH-QMMMGPOBSA-N
MW308.33 g/mol
LogP2.59
Rot. Bonds5

About 2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide

2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (PubChem CID 97334834) has the molecular formula C15H18F2N4O and a molecular weight of 308.33 g/mol. Its IUPAC name is 2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
PubChem CID97334834
Molecular FormulaC15H18F2N4O
Molecular Weight308.33 g/mol
Exact Mass308.14
IUPAC Name2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
SMILESCc1n[nH]c(C)c1NC(=O)CN[C@@H](C)c1cccc(F)c1F
InChIInChI=1S/C15H18F2N4O/c1-8(11-5-4-6-12(16)14(11)17)18-7-13(22)19-15-9(2)20-21-10(15)3/h4-6,8,18H,7H2,1-3H3,(H,19,22)(H,20,21)/t8-/m0/s1
InChIKeyLQWVBOYCXNAZPH-QMMMGPOBSA-N
XLogP2.59
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide
CID 97108726
N-(2,6-difluorophenyl)-2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]acetamide
CID 9369757
N-(2,6-difluorophenyl)-2-(1-pyridin-4-ylethylamino)acetamide
CID 43408879
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370543
2-(3-bromo-4-fluorophenyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 122158377
2-[[(1S)-1-(2,4-difluorophenyl)ethyl]amino]-N-[2,6-di(propan-2-yl)phenyl]acetamide
CID 9370539
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(2-fluorophenoxy)propanamide
CID 43546883
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-propan-2-yloxyacetamide
CID 112687011
2-[1-(2-fluorophenyl)ethylamino]-N-methylacetamide
CID 43214691
N-butan-2-yl-2-[1-(2-fluorophenyl)ethylamino]acetamide
CID 60693889
2-[1-(2-chlorophenyl)ethylamino]-N-(2,6-dichlorophenyl)acetamide
CID 18085946
N-(2,6-difluorophenyl)-2-(heptan-2-ylamino)acetamide
CID 60688234

Frequently Asked Questions

What is the IUPAC name of 2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The IUPAC name of 2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide (CID 97334834) is 2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide.
What is the SMILES notation for 2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The canonical SMILES for 2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)c1cccc(F)c1F.
What is the InChIKey of 2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
The InChIKey is LQWVBOYCXNAZPH-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H18F2N4O/c1-8(11-5-4-6-12(16)14(11)17)18-7-13(22)19-15-9(2)20-21-10(15)3/h4-6,8,18H,7H2,1-3H3,(H,19,22)(H,20,21)/t8-/m0/s1.
What are the key properties of 2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide?
2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide has a molecular weight of 308.33 g/mol, XLogP of 2.59, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1S)-1-(2,3-difluorophenyl)ethyl]amino]-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide is sourced from PubChem (CID 97334834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).