tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate

C19H21N3O2 — CID 142140134

IUPACtert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate
SMILESC/C=C\c1cc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)n[nH]1
InChIInChI=1S/C19H21N3O2/c1-5-8-13-11-16(21-20-13)15-12-22(18(23)24-19(2,3)4)17-10-7-6-9-14(15)17/h5-12H,1-4H3,(H,20,21)/b8-5-
InChIKeyRKQXDANVHRCRII-YVMONPNESA-N
MW323.40 g/mol
LogP4.85
Rot. Bonds2

About tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate

tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate (PubChem CID 142140134) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate
PubChem CID142140134
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Nametert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate
SMILESC/C=C\c1cc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)n[nH]1
InChIInChI=1S/C19H21N3O2/c1-5-8-13-11-16(21-20-13)15-12-22(18(23)24-19(2,3)4)17-10-7-6-9-14(15)17/h5-12H,1-4H3,(H,20,21)/b8-5-
InChIKeyRKQXDANVHRCRII-YVMONPNESA-N
XLogP4.85
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate?
The IUPAC name of tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate (CID 142140134) is tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate is C/C=C\c1cc(-c2cn(C(=O)OC(C)(C)C)c3ccccc23)n[nH]1.
What is the InChIKey of tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate?
The InChIKey is RKQXDANVHRCRII-YVMONPNESA-N. The full InChI is InChI=1S/C19H21N3O2/c1-5-8-13-11-16(21-20-13)15-12-22(18(23)24-19(2,3)4)17-10-7-6-9-14(15)17/h5-12H,1-4H3,(H,20,21)/b8-5-.
What are the key properties of tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate?
tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate has a molecular weight of 323.40 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[5-[(Z)-prop-1-enyl]-1H-pyrazol-3-yl]indole-1-carboxylate is sourced from PubChem (CID 142140134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).