1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide

C19H22N4O2 — CID 95143710

IUPAC1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-2-23-17-8-4-3-6-14(17)10-18(23)19(24)21-15-11-20-22(12-15)13-16-7-5-9-25-16/h3-4,6,8,10-12,16H,2,5,7,9,13H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyXJODFBDSMPEYJQ-INIZCTEOSA-N
MW338.41 g/mol
LogP3.29
Rot. Bonds5

About 1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide

1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide (PubChem CID 95143710) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide
PubChem CID95143710
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide
SMILESCCn1c(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-2-23-17-8-4-3-6-14(17)10-18(23)19(24)21-15-11-20-22(12-15)13-16-7-5-9-25-16/h3-4,6,8,10-12,16H,2,5,7,9,13H2,1H3,(H,21,24)/t16-/m0/s1
InChIKeyXJODFBDSMPEYJQ-INIZCTEOSA-N
XLogP3.29
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]naphthalene-2-carboxamide
CID 165126942
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]thiophene-2-carboxamide
CID 60782178
2-bromo-N-[1-[[(2R)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129354375
2-(N-ethylanilino)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 47070427
N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]indolizine-2-carboxamide
CID 129355829
N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-5,6,7,8-tetrahydroquinoline-2-carboxamide
CID 71911590
N-[(2-methylphenyl)methyl]-N'-[1-[[(2R)-oxolan-2-yl]methyl]pyrazol-4-yl]oxamide
CID 96539643
1-(2-methyl-1-phenylpropyl)-3-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]urea
CID 87038237
3-(dimethylamino)-N-[1-[[(2S)-oxan-2-yl]methyl]pyrazol-4-yl]benzamide
CID 129356187
2-(2-ethoxyphenoxy)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]acetamide
CID 56817971
N-[1-(oxan-2-ylmethyl)pyrazol-4-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 121145260
3,5-dimethyl-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-1,2-oxazole-4-carboxamide
CID 60544723

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide?
The IUPAC name of 1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide (CID 95143710) is 1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide.
What is the SMILES notation for 1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide?
The canonical SMILES for 1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide is CCn1c(C(=O)Nc2cnn(C[C@@H]3CCCO3)c2)cc2ccccc21.
What is the InChIKey of 1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide?
The InChIKey is XJODFBDSMPEYJQ-INIZCTEOSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-2-23-17-8-4-3-6-14(17)10-18(23)19(24)21-15-11-20-22(12-15)13-16-7-5-9-25-16/h3-4,6,8,10-12,16H,2,5,7,9,13H2,1H3,(H,21,24)/t16-/m0/s1.
What are the key properties of 1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide?
1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-[[(2S)-oxolan-2-yl]methyl]pyrazol-4-yl]indole-2-carboxamide is sourced from PubChem (CID 95143710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).