N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide

C16H14N4O2 — CID 40609287

IUPACN-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide
SMILESCC(=O)NC1=C(C#N)[C@H](c2ccccc2)c2c(n[nH]c2C)O1
InChIInChI=1S/C16H14N4O2/c1-9-13-14(11-6-4-3-5-7-11)12(8-17)15(18-10(2)21)22-16(13)20-19-9/h3-7,14H,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeySOBMDYRADKFUKM-AWEZNQCLSA-N
MW294.31 g/mol
LogP2.11
Rot. Bonds2

About N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide

N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide (PubChem CID 40609287) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide.

Molecular Properties

Compound NameN-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide
PubChem CID40609287
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC NameN-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide
SMILESCC(=O)NC1=C(C#N)[C@H](c2ccccc2)c2c(n[nH]c2C)O1
InChIInChI=1S/C16H14N4O2/c1-9-13-14(11-6-4-3-5-7-11)12(8-17)15(18-10(2)21)22-16(13)20-19-9/h3-7,14H,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1
InChIKeySOBMDYRADKFUKM-AWEZNQCLSA-N
XLogP2.11
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide?
The IUPAC name of N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide (CID 40609287) is N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide.
What is the SMILES notation for N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide?
The canonical SMILES for N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide is CC(=O)NC1=C(C#N)[C@H](c2ccccc2)c2c(n[nH]c2C)O1.
What is the InChIKey of N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide?
The InChIKey is SOBMDYRADKFUKM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-9-13-14(11-6-4-3-5-7-11)12(8-17)15(18-10(2)21)22-16(13)20-19-9/h3-7,14H,1-2H3,(H,18,21)(H,19,20)/t14-/m0/s1.
What are the key properties of N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide?
N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide has a molecular weight of 294.31 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-5-cyano-3-methyl-4-phenyl-2,4-dihydropyrano[2,3-c]pyrazol-6-yl]acetamide is sourced from PubChem (CID 40609287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).