(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid

C18H19N5O4 — CID 97275524

IUPAC(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid
SMILESCOc1ccccc1-n1cc(C(=O)N[C@@H](C(=O)O)c2c(C)n[nH]c2C)cn1
InChIInChI=1S/C18H19N5O4/c1-10-15(11(2)22-21-10)16(18(25)26)20-17(24)12-8-19-23(9-12)13-6-4-5-7-14(13)27-3/h4-9,16H,1-3H3,(H,20,24)(H,21,22)(H,25,26)/t16-/m1/s1
InChIKeyVALAUNPXGDQDKO-MRXNPFEDSA-N
MW369.38 g/mol
LogP1.78
Rot. Bonds6

About (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid

(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid (PubChem CID 97275524) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid
PubChem CID97275524
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC Name(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid
SMILESCOc1ccccc1-n1cc(C(=O)N[C@@H](C(=O)O)c2c(C)n[nH]c2C)cn1
InChIInChI=1S/C18H19N5O4/c1-10-15(11(2)22-21-10)16(18(25)26)20-17(24)12-8-19-23(9-12)13-6-4-5-7-14(13)27-3/h4-9,16H,1-3H3,(H,20,24)(H,21,22)(H,25,26)/t16-/m1/s1
InChIKeyVALAUNPXGDQDKO-MRXNPFEDSA-N
XLogP1.78
TPSA122.13 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid with MolForge

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Related Compounds

(2R)-2-[(2,3-difluoro-4-methoxybenzoyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95209759
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[2-(1,1,2,2-tetrafluoroethoxy)benzoyl]amino]acetic acid
CID 50980348
2-[[4-(dimethylamino)benzoyl]amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 50977840
1-(2-methoxyphenyl)-N-[(2S)-1-(1,3-thiazol-5-yl)propan-2-yl]pyrazole-4-carboxamide
CID 97143423
N-[1-(methoxymethyl)cyclopentyl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 77086056
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid
CID 95207525
(2R)-2-(1,3-benzodioxole-5-carbonylamino)-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95216398
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(3-methylthiophene-2-carbonyl)amino]acetic acid
CID 95204371
2-[[1-(2-methylphenyl)pyrazole-4-carbonyl]amino]butanoic acid
CID 119223849
(3R)-2-[1-(2-methoxyphenyl)pyrazole-4-carbonyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95708391
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid
CID 95189770
N-[2-(1-cyclopropylethyl)-5-methylpyrazol-3-yl]-1-(2-methoxyphenyl)pyrazole-4-carboxamide
CID 134706069

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid?
The IUPAC name of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid (CID 97275524) is (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid is COc1ccccc1-n1cc(C(=O)N[C@@H](C(=O)O)c2c(C)n[nH]c2C)cn1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid?
The InChIKey is VALAUNPXGDQDKO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-10-15(11(2)22-21-10)16(18(25)26)20-17(24)12-8-19-23(9-12)13-6-4-5-7-14(13)27-3/h4-9,16H,1-3H3,(H,20,24)(H,21,22)(H,25,26)/t16-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid?
(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid has a molecular weight of 369.38 g/mol, XLogP of 1.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[1-(2-methoxyphenyl)pyrazole-4-carbonyl]amino]acetic acid is sourced from PubChem (CID 97275524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).