(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid

C15H15N5O3 — CID 95207525

IUPAC(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid
SMILESCc1n[nH]c(C)c1[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H15N5O3/c1-7-11(8(2)18-17-7)13(15(22)23)16-14(21)12-9-5-3-4-6-10(9)19-20-12/h3-6,13H,1-2H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t13-/m0/s1
InChIKeyDVYSSKYANHCGEN-ZDUSSCGKSA-N
MW313.32 g/mol
LogP1.46
Rot. Bonds4

About (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid

(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid (PubChem CID 95207525) has the molecular formula C15H15N5O3 and a molecular weight of 313.32 g/mol. Its IUPAC name is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid.

Molecular Properties

Compound Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid
PubChem CID95207525
Molecular FormulaC15H15N5O3
Molecular Weight313.32 g/mol
Exact Mass313.12
IUPAC Name(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid
SMILESCc1n[nH]c(C)c1[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)O
InChIInChI=1S/C15H15N5O3/c1-7-11(8(2)18-17-7)13(15(22)23)16-14(21)12-9-5-3-4-6-10(9)19-20-12/h3-6,13H,1-2H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t13-/m0/s1
InChIKeyDVYSSKYANHCGEN-ZDUSSCGKSA-N
XLogP1.46
TPSA123.76 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(quinoline-4-carbonylamino)acetic acid
CID 95189770
2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid
CID 170858350
(2S)-2-[(2,3-dimethyl-1H-indole-7-carbonyl)amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 95218140
2-[[4-(dimethylamino)benzoyl]amino]-2-(3,5-dimethyl-1H-pyrazol-4-yl)acetic acid
CID 50977840
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[[2-(1,1,2,2-tetrafluoroethoxy)benzoyl]amino]acetic acid
CID 50980348
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152
N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 154794888
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
2-[(1H-indazole-3-carbonylamino)methyl]-3-methylbutanoic acid
CID 65220058
N-(2,2,2-trifluoro-1-phenylethyl)-1H-indazole-3-carboxamide
CID 60589476
N-(1-methoxypropan-2-yl)-1H-indazole-3-carboxamide
CID 18161172

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid?
The IUPAC name of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid (CID 95207525) is (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid.
What is the SMILES notation for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid?
The canonical SMILES for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid is Cc1n[nH]c(C)c1[C@H](NC(=O)c1n[nH]c2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid?
The InChIKey is DVYSSKYANHCGEN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H15N5O3/c1-7-11(8(2)18-17-7)13(15(22)23)16-14(21)12-9-5-3-4-6-10(9)19-20-12/h3-6,13H,1-2H3,(H,16,21)(H,17,18)(H,19,20)(H,22,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid?
(2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid has a molecular weight of 313.32 g/mol, XLogP of 1.46, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(1H-indazole-3-carbonylamino)acetic acid is sourced from PubChem (CID 95207525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).