propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate

C14H17N3O3 — CID 47150573

IUPACpropan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate
SMILESCC(C)OC(=O)CCNC(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C14H17N3O3/c1-9(2)20-12(18)6-7-15-14(19)11-5-3-4-10-8-16-17-13(10)11/h3-5,8-9H,6-7H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyHGLJQTIFPONAFC-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.63
Rot. Bonds5

About propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate

propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate (PubChem CID 47150573) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate.

Molecular Properties

Compound Namepropan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate
PubChem CID47150573
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Namepropan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate
SMILESCC(C)OC(=O)CCNC(=O)c1cccc2cn[nH]c12
InChIInChI=1S/C14H17N3O3/c1-9(2)20-12(18)6-7-15-14(19)11-5-3-4-10-8-16-17-13(10)11/h3-5,8-9H,6-7H2,1-2H3,(H,15,19)(H,16,17)
InChIKeyHGLJQTIFPONAFC-UHFFFAOYSA-N
XLogP1.63
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(methylamino)propyl]-1H-indazole-7-carboxamide;hydrochloride
CID 120826936
4-(1H-indazole-7-carbonylamino)-3-methylbutanoic acid
CID 75498144
N-(3-hydroxy-2,2,4-trimethylpentyl)-1H-indazole-7-carboxamide
CID 109380508
N-[(2-propan-2-yloxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057623
N-(3,5-dimethoxyphenyl)-1H-indazole-7-carboxamide
CID 36765506
N-(2-cyclopentyl-2-hydroxyethyl)-1H-indazole-7-carboxamide
CID 111426218
N-(2-hydroxy-2-propylpentyl)-1H-indazole-7-carboxamide
CID 111444821
methyl 4-[1H-indazole-7-carbonyl(methyl)amino]butanoate
CID 39491409
N-[[4-(difluoromethoxy)phenyl]methyl]-1H-indazole-7-carboxamide
CID 43048623
N-[2-(4-chlorophenyl)-2-hydroxyethyl]-1H-indazole-7-carboxamide
CID 110885725
N-[3-(methoxymethyl)phenyl]-1H-indazole-7-carboxamide
CID 32639414
N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-1H-indazole-7-carboxamide
CID 47079610

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate?
The IUPAC name of propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate (CID 47150573) is propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate.
What is the SMILES notation for propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate?
The canonical SMILES for propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate is CC(C)OC(=O)CCNC(=O)c1cccc2cn[nH]c12.
What is the InChIKey of propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate?
The InChIKey is HGLJQTIFPONAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-9(2)20-12(18)6-7-15-14(19)11-5-3-4-10-8-16-17-13(10)11/h3-5,8-9H,6-7H2,1-2H3,(H,15,19)(H,16,17).
What are the key properties of propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate?
propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate has a molecular weight of 275.31 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 3-(1H-indazole-7-carbonylamino)propanoate is sourced from PubChem (CID 47150573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).