2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid

C14H17N3O2 — CID 114250987

IUPAC2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
SMILESCCn1ccc(NCc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C14H17N3O2/c1-2-17-8-7-13(16-17)15-10-12-5-3-11(4-6-12)9-14(18)19/h3-8H,2,9-10H2,1H3,(H,15,16)(H,18,19)
InChIKeyZEWPPLPMVBHMNL-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.14
Rot. Bonds6

About 2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid

2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid (PubChem CID 114250987) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
PubChem CID114250987
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
SMILESCCn1ccc(NCc2ccc(CC(=O)O)cc2)n1
InChIInChI=1S/C14H17N3O2/c1-2-17-8-7-13(16-17)15-10-12-5-3-11(4-6-12)9-14(18)19/h3-8H,2,9-10H2,1H3,(H,15,16)(H,18,19)
InChIKeyZEWPPLPMVBHMNL-UHFFFAOYSA-N
XLogP2.14
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[[(1-methylpyrazol-3-yl)amino]methyl]phenyl]acetic acid
CID 103256802
1-ethyl-N-[(4-fluorophenyl)methyl]pyrazol-3-amine
CID 141210636
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-1-ethylpyrazol-3-amine
CID 114252253
2-[3-[(1-ethylpyrazol-3-yl)methylamino]pyrazol-1-yl]ethanol
CID 122166587
2-[[(1-ethylpyrazol-3-yl)amino]methyl]-4-fluorophenol
CID 114251895
3-[(1-ethylpyrazol-3-yl)carbamoylamino]-3-methylbutanoic acid
CID 114251038
1-ethyl-N-(2-methylprop-2-enyl)pyrazol-3-amine
CID 130496222
N-[(4-methoxyphenyl)methyl]-1-propylpyrazol-3-amine
CID 122168625
2-[4-[(3-methylpentan-3-ylamino)methyl]phenyl]acetic acid
CID 106330128
2-[3-[(4-methoxyphenyl)methylamino]pyrazol-1-yl]ethanol
CID 122168607
1-ethyl-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 114252049
1-(1-ethylpyrazol-3-yl)-3-[(4-fluorophenyl)methyl]thiourea
CID 17282048

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid?
The IUPAC name of 2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid (CID 114250987) is 2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid?
The canonical SMILES for 2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid is CCn1ccc(NCc2ccc(CC(=O)O)cc2)n1.
What is the InChIKey of 2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid?
The InChIKey is ZEWPPLPMVBHMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-17-8-7-13(16-17)15-10-12-5-3-11(4-6-12)9-14(18)19/h3-8H,2,9-10H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid?
2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(1-ethylpyrazol-3-yl)amino]methyl]phenyl]acetic acid is sourced from PubChem (CID 114250987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).