4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide

C15H16ClN3O2 — CID 71808466

IUPAC4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide
SMILESCn1nc(CNC(=O)c2ccc(Cl)cc2)c2c1CCOC2
InChIInChI=1S/C15H16ClN3O2/c1-19-14-6-7-21-9-12(14)13(18-19)8-17-15(20)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H,17,20)
InChIKeyRGLAJNFCJOCAQB-UHFFFAOYSA-N
MW305.76 g/mol
LogP2.08
Rot. Bonds3

About 4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide

4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide (PubChem CID 71808466) has the molecular formula C15H16ClN3O2 and a molecular weight of 305.76 g/mol. Its IUPAC name is 4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide
PubChem CID71808466
Molecular FormulaC15H16ClN3O2
Molecular Weight305.76 g/mol
Exact Mass305.09
IUPAC Name4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide
SMILESCn1nc(CNC(=O)c2ccc(Cl)cc2)c2c1CCOC2
InChIInChI=1S/C15H16ClN3O2/c1-19-14-6-7-21-9-12(14)13(18-19)8-17-15(20)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H,17,20)
InChIKeyRGLAJNFCJOCAQB-UHFFFAOYSA-N
XLogP2.08
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide (CID 71808466) is 4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide is Cn1nc(CNC(=O)c2ccc(Cl)cc2)c2c1CCOC2.
What is the InChIKey of 4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
The InChIKey is RGLAJNFCJOCAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2/c1-19-14-6-7-21-9-12(14)13(18-19)8-17-15(20)10-2-4-11(16)5-3-10/h2-5H,6-9H2,1H3,(H,17,20).
What are the key properties of 4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide?
4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide has a molecular weight of 305.76 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 71808466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).