N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide

C12H13FN4O — CID 54862737

IUPACN-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccn[nH]2)ccc1F
InChIInChI=1S/C12H13FN4O/c1-8(18)16-12-6-9(2-3-11(12)13)14-7-10-4-5-15-17-10/h2-6,14H,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyXEBHGTYQVLSEII-UHFFFAOYSA-N
MW248.26 g/mol
LogP2.12
Rot. Bonds4

About N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide

N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide (PubChem CID 54862737) has the molecular formula C12H13FN4O and a molecular weight of 248.26 g/mol. Its IUPAC name is N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide
PubChem CID54862737
Molecular FormulaC12H13FN4O
Molecular Weight248.26 g/mol
Exact Mass248.11
IUPAC NameN-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1cc(NCc2ccn[nH]2)ccc1F
InChIInChI=1S/C12H13FN4O/c1-8(18)16-12-6-9(2-3-11(12)13)14-7-10-4-5-15-17-10/h2-6,14H,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyXEBHGTYQVLSEII-UHFFFAOYSA-N
XLogP2.12
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.26
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-fluoro-N-(1H-pyrazol-5-ylmethyl)aniline
CID 43662509
N-[2-fluoro-5-[(2,4,5-trifluorophenyl)methylamino]phenyl]acetamide
CID 75469999
N-[5-[(2,4-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928628
N-[5-[(2,4-dihydroxyphenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928497
N-[5-[(2,3-difluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 63667393
N-[5-[(5-bromo-2-fluorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60927782
N-[2-fluoro-5-[(6-methyl-3-pyridinyl)methylamino]phenyl]acetamide
CID 104749373
N-[2-fluoro-5-(2-methylpropylamino)phenyl]acetamide
CID 60928010
N-[3-(1H-pyrazol-5-ylmethylamino)phenyl]propanamide
CID 43662428
N-[5-[(3-chlorophenyl)methylamino]-2-fluorophenyl]acetamide
CID 60928498
N-[2-fluoro-5-[(4-methoxyphenyl)methylamino]phenyl]acetamide
CID 60928382
N-[5-[(2-aminophenyl)methylamino]-2-fluorophenyl]acetamide
CID 66417660

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide (CID 54862737) is N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide is CC(=O)Nc1cc(NCc2ccn[nH]2)ccc1F.
What is the InChIKey of N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide?
The InChIKey is XEBHGTYQVLSEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN4O/c1-8(18)16-12-6-9(2-3-11(12)13)14-7-10-4-5-15-17-10/h2-6,14H,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide?
N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide has a molecular weight of 248.26 g/mol, XLogP of 2.12, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-5-(1H-pyrazol-5-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 54862737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).