2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid

C14H17N3O2S — CID 72874635

IUPAC2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(C(=O)O)c1ccsc1
InChIInChI=1S/C14H17N3O2S/c1-17(13(14(18)19)10-4-5-20-8-10)7-11-6-12(16-15-11)9-2-3-9/h4-6,8-9,13H,2-3,7H2,1H3,(H,15,16)(H,18,19)
InChIKeyABIGXHSREFRVOP-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.61
Rot. Bonds6

About 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid

2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid (PubChem CID 72874635) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid
PubChem CID72874635
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid
SMILESCN(Cc1cc(C2CC2)n[nH]1)C(C(=O)O)c1ccsc1
InChIInChI=1S/C14H17N3O2S/c1-17(13(14(18)19)10-4-5-20-8-10)7-11-6-12(16-15-11)9-2-3-9/h4-6,8-9,13H,2-3,7H2,1H3,(H,15,16)(H,18,19)
InChIKeyABIGXHSREFRVOP-UHFFFAOYSA-N
XLogP2.61
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-methyl-3-(trifluoromethyl)-1H-pyrazol-5-yl]methylamino]-2-thiophen-2-ylacetic acid
CID 167940338
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetic acid
CID 64975131
methyl 2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(thiophen-2-ylmethylamino)acetate
CID 64975132
[[3-(3,5-dimethyl-1H-pyrazol-1-yl)propyl](methyl)amino](3-thienyl)acetic acid
CID 72852817
(2S)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-thiophen-3-ylacetic acid
CID 97190052
(2R)-2-[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]-2-thiophen-3-ylacetic acid
CID 97190053
2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-thiophen-2-ylacetic acid
CID 115283766
methyl 2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-thiophen-3-ylacetate
CID 121533660
methyl (2S)-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-thiophen-3-ylacetate
CID 124621764
methyl (2R)-2-[[2-(3,5-dimethyl-1H-pyrazol-4-yl)acetyl]amino]-2-thiophen-3-ylacetate
CID 124621765
2-[(4-methyl-1H-pyrazol-5-yl)methylamino]-2-thiophen-2-ylacetic acid
CID 166253343

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid?
The IUPAC name of 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid (CID 72874635) is 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid.
What is the SMILES notation for 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid?
The canonical SMILES for 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid is CN(Cc1cc(C2CC2)n[nH]1)C(C(=O)O)c1ccsc1.
What is the InChIKey of 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid?
The InChIKey is ABIGXHSREFRVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-17(13(14(18)19)10-4-5-20-8-10)7-11-6-12(16-15-11)9-2-3-9/h4-6,8-9,13H,2-3,7H2,1H3,(H,15,16)(H,18,19).
What are the key properties of 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid?
2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid has a molecular weight of 291.38 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1H-pyrazol-5-yl)methyl-methylamino]-2-thiophen-3-ylacetic acid is sourced from PubChem (CID 72874635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).