2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

C18H23FN4O — CID 95294341

IUPAC2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C2CC2)[C@H](C)c2ccccc2F)n(C)n1
InChIInChI=1S/C18H23FN4O/c1-12-10-17(22(3)21-12)20-18(24)11-23(14-8-9-14)13(2)15-6-4-5-7-16(15)19/h4-7,10,13-14H,8-9,11H2,1-3H3,(H,20,24)/t13-/m1/s1
InChIKeyXBWOOBMUCWCKGS-CYBMUJFWSA-N
MW330.41 g/mol
LogP3.03
Rot. Bonds6

About 2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 95294341) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID95294341
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C2CC2)[C@H](C)c2ccccc2F)n(C)n1
InChIInChI=1S/C18H23FN4O/c1-12-10-17(22(3)21-12)20-18(24)11-23(14-8-9-14)13(2)15-6-4-5-7-16(15)19/h4-7,10,13-14H,8-9,11H2,1-3H3,(H,20,24)/t13-/m1/s1
InChIKeyXBWOOBMUCWCKGS-CYBMUJFWSA-N
XLogP3.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetylphenyl)-2-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]acetamide
CID 56525295
N-[(4-chlorophenyl)methyl]-2-[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]acetamide
CID 51965688
2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36803387
N-(4-acetylphenyl)-3-[cyclopropyl-[1-(2-fluorophenyl)ethyl]amino]propanamide
CID 56525381
[5-[[cyclopropyl-[(1S)-1-(2-fluorophenyl)ethyl]amino]methyl]furan-2-yl]methanol
CID 99780599
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 36800668
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 8977816
N-(2,5-dimethylpyrazol-3-yl)-2,3-difluorobenzamide
CID 62650484
2-[bis(furan-2-ylmethyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36802685
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 95294341) is 2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C2CC2)[C@H](C)c2ccccc2F)n(C)n1.
What is the InChIKey of 2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is XBWOOBMUCWCKGS-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-12-10-17(22(3)21-12)20-18(24)11-23(14-8-9-14)13(2)15-6-4-5-7-16(15)19/h4-7,10,13-14H,8-9,11H2,1-3H3,(H,20,24)/t13-/m1/s1.
What are the key properties of 2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 330.41 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 95294341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).