2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid

C15H17N3O2 — CID 62887278

IUPAC2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid
SMILESO=C(O)C(NCc1ccn(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C15H17N3O2/c19-15(20)14(11-6-7-11)16-10-12-8-9-18(17-12)13-4-2-1-3-5-13/h1-5,8-9,11,14,16H,6-7,10H2,(H,19,20)
InChIKeyALFVUZROYDVNFA-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.83
Rot. Bonds6

About 2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid

2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid (PubChem CID 62887278) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid
PubChem CID62887278
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid
SMILESO=C(O)C(NCc1ccn(-c2ccccc2)n1)C1CC1
InChIInChI=1S/C15H17N3O2/c19-15(20)14(11-6-7-11)16-10-12-8-9-18(17-12)13-4-2-1-3-5-13/h1-5,8-9,11,14,16H,6-7,10H2,(H,19,20)
InChIKeyALFVUZROYDVNFA-UHFFFAOYSA-N
XLogP1.83
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopropyl-2-[(1-methylpyrazol-3-yl)methylamino]acetic acid
CID 82868834
(2S)-2-[(1-phenylpyrazol-3-yl)methylamino]propanoic acid
CID 83194927
3-methyl-2-[(1-phenylpyrazol-3-yl)methylamino]butanamide
CID 103908798
2-methyl-3-[(1-phenylpyrazol-3-yl)methylamino]butan-1-ol
CID 115897847
N-[(1-phenylpyrazol-3-yl)methyl]thian-4-amine
CID 115595875
4-[[(1-phenylpyrazol-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 106126263
N-[(1-phenylpyrazol-3-yl)methyl]pent-1-yn-3-amine
CID 106225141
4-methyl-2-[[(1-phenylpyrazol-3-yl)methylamino]methyl]pentanoic acid
CID 122073188
4-[(1-phenylpyrazol-3-yl)methylamino]butanoic acid
CID 55127369
2-cyclopropyl-2-(imidazo[2,1-b][1,3]thiazol-6-ylmethylamino)acetic acid
CID 115332454
[1-[(1-phenylpyrazol-3-yl)methylamino]cyclopropyl]methanol
CID 115897888
2-methyl-N-[(1-phenylpyrazol-3-yl)methyl]cyclopropan-1-amine
CID 62887093

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid?
The IUPAC name of 2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid (CID 62887278) is 2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid?
The canonical SMILES for 2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid is O=C(O)C(NCc1ccn(-c2ccccc2)n1)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid?
The InChIKey is ALFVUZROYDVNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15(20)14(11-6-7-11)16-10-12-8-9-18(17-12)13-4-2-1-3-5-13/h1-5,8-9,11,14,16H,6-7,10H2,(H,19,20).
What are the key properties of 2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid?
2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-[(1-phenylpyrazol-3-yl)methylamino]acetic acid is sourced from PubChem (CID 62887278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).