(4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol

C18H17N3O2 — CID 135708168

IUPAC(4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
SMILESCOc1ccc([C@H]2NN=C(c3c[nH]c4ccccc34)[C@@H]2O)cc1
InChIInChI=1S/C18H17N3O2/c1-23-12-8-6-11(7-9-12)16-18(22)17(21-20-16)14-10-19-15-5-3-2-4-13(14)15/h2-10,16,18-20,22H,1H3/t16-,18-/m1/s1
InChIKeyUKXRUPOIAKFFCM-SJLPKXTDSA-N
MW307.35 g/mol
LogP2.59
Rot. Bonds3

About (4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol

(4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol (PubChem CID 135708168) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is (4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol.

Molecular Properties

Compound Name(4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
PubChem CID135708168
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Name(4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol
SMILESCOc1ccc([C@H]2NN=C(c3c[nH]c4ccccc34)[C@@H]2O)cc1
InChIInChI=1S/C18H17N3O2/c1-23-12-8-6-11(7-9-12)16-18(22)17(21-20-16)14-10-19-15-5-3-2-4-13(14)15/h2-10,16,18-20,22H,1H3/t16-,18-/m1/s1
InChIKeyUKXRUPOIAKFFCM-SJLPKXTDSA-N
XLogP2.59
TPSA69.64 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(4-methoxyphenyl)-3-methyl-1,2,4-triazin-5-yl]-1H-indole
CID 6405233
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CID 142739880
2-(1H-indol-3-yl)-6-methoxyquinoline
CID 18729469
[4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzothiazepin-3-yl]-phenyldiazene
CID 135533301
2,6-bis(1H-indol-3-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 171396109
2-(1H-indol-3-yl)-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
CID 71481907
5-(1H-indol-3-yl)-N-(4-methoxyphenyl)-3,6-dihydro-1,3,4-thiadiazin-2-imine
CID 135494113
3-[1-(4-methoxyphenyl)tetrazol-5-yl]-1H-quinolin-4-one
CID 3536587
N-(1H-indol-3-ylmethyl)-2-(4-methoxyphenyl)acetamide
CID 110357464
3-[bis(4-methoxyphenyl)methyl]-1H-indole
CID 4102319
3-chloro-N-[[4-(1H-indol-3-yl)-2-(4-methoxyphenyl)-2,3-dihydro-1,5-benzoxazepin-3-yl]methyl]aniline
CID 135404824
3-[2-[4-(difluoromethoxy)phenyl]-4-(4-methoxyphenyl)-1H-imidazol-5-yl]-1H-indole
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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
The IUPAC name of (4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol (CID 135708168) is (4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol.
What is the SMILES notation for (4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
The canonical SMILES for (4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol is COc1ccc([C@H]2NN=C(c3c[nH]c4ccccc34)[C@@H]2O)cc1.
What is the InChIKey of (4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
The InChIKey is UKXRUPOIAKFFCM-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-23-12-8-6-11(7-9-12)16-18(22)17(21-20-16)14-10-19-15-5-3-2-4-13(14)15/h2-10,16,18-20,22H,1H3/t16-,18-/m1/s1.
What are the key properties of (4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol?
(4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol has a molecular weight of 307.35 g/mol, XLogP of 2.59, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-(1H-indol-3-yl)-5-(4-methoxyphenyl)-4,5-dihydro-1H-pyrazol-4-ol is sourced from PubChem (CID 135708168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).