ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate

C17H21N5O3 — CID 135927401

IUPACethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate
SMILESCCOC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C17H21N5O3/c1-2-25-17(24)19-14-9-13(10-7-8-10)21-22(14)16-18-12-6-4-3-5-11(12)15(23)20-16/h9-10H,2-8H2,1H3,(H,19,24)(H,18,20,23)
InChIKeyMATDXWNUAOXUJT-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.28
Rot. Bonds4

About ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate

ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate (PubChem CID 135927401) has the molecular formula C17H21N5O3 and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate
PubChem CID135927401
Molecular FormulaC17H21N5O3
Molecular Weight343.39 g/mol
Exact Mass343.16
IUPAC Nameethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate
SMILESCCOC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2
InChIInChI=1S/C17H21N5O3/c1-2-25-17(24)19-14-9-13(10-7-8-10)21-22(14)16-18-12-6-4-3-5-11(12)15(23)20-16/h9-10H,2-8H2,1H3,(H,19,24)(H,18,20,23)
InChIKeyMATDXWNUAOXUJT-UHFFFAOYSA-N
XLogP2.28
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate?
The IUPAC name of ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate (CID 135927401) is ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate.
What is the SMILES notation for ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate?
The canonical SMILES for ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate is CCOC(=O)Nc1cc(C2CC2)nn1-c1nc2c(c(=O)[nH]1)CCCC2.
What is the InChIKey of ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate?
The InChIKey is MATDXWNUAOXUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3/c1-2-25-17(24)19-14-9-13(10-7-8-10)21-22(14)16-18-12-6-4-3-5-11(12)15(23)20-16/h9-10H,2-8H2,1H3,(H,19,24)(H,18,20,23).
What are the key properties of ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate?
ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate has a molecular weight of 343.39 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-cyclopropyl-1-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-5-yl]carbamate is sourced from PubChem (CID 135927401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).