N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

C16H21N3O2S — CID 97445497

IUPACN-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NC[C@H](CO)Cc1ccsc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H21N3O2S/c20-9-12(7-11-5-6-22-10-11)8-17-16(21)15-13-3-1-2-4-14(13)18-19-15/h5-6,10,12,20H,1-4,7-9H2,(H,17,21)(H,18,19)/t12-/m1/s1
InChIKeyUCNIAKWHUCDPSI-GFCCVEGCSA-N
MW319.43 g/mol
LogP1.93
Rot. Bonds6

About N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide

N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (PubChem CID 97445497) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
PubChem CID97445497
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC NameN-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
SMILESO=C(NC[C@H](CO)Cc1ccsc1)c1n[nH]c2c1CCCC2
InChIInChI=1S/C16H21N3O2S/c20-9-12(7-11-5-6-22-10-11)8-17-16(21)15-13-3-1-2-4-14(13)18-19-15/h5-6,10,12,20H,1-4,7-9H2,(H,17,21)(H,18,19)/t12-/m1/s1
InChIKeyUCNIAKWHUCDPSI-GFCCVEGCSA-N
XLogP1.93
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide with MolForge

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Related Compounds

N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-(2-hydroxy-2-thiophen-3-ylpropyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 111451703
2-ethyl-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]pyrimidine-5-carboxamide
CID 74238284
2-benzyl-3-(4,5,6,7-tetrahydro-1H-indazole-3-carbonylamino)propanoic acid
CID 75495605
N-(2-hydroxyethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110888333
N-[(2S)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
CID 99960412
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]prop-2-enamide
CID 126816815
N-benzyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide;hydrochloride
CID 44667187
N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-pyrazol-1-ylbenzamide
CID 70769503
3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
CID 118789146
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-3-[6-(methylamino)pyridazin-3-yl]benzamide
CID 125447855
N-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 112841611

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The IUPAC name of N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide (CID 97445497) is N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is O=C(NC[C@H](CO)Cc1ccsc1)c1n[nH]c2c1CCCC2.
What is the InChIKey of N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
The InChIKey is UCNIAKWHUCDPSI-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H21N3O2S/c20-9-12(7-11-5-6-22-10-11)8-17-16(21)15-13-3-1-2-4-14(13)18-19-15/h5-6,10,12,20H,1-4,7-9H2,(H,17,21)(H,18,19)/t12-/m1/s1.
What are the key properties of N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide?
N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide has a molecular weight of 319.43 g/mol, XLogP of 1.93, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(hydroxymethyl)-3-thiophen-3-ylpropyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide is sourced from PubChem (CID 97445497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).