N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide

C16H19N3O4 — CID 95984820

IUPACN-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NC[C@]1(O)CCOc2ccccc21
InChIInChI=1S/C16H19N3O4/c1-19-9-11(15(18-19)22-2)14(20)17-10-16(21)7-8-23-13-6-4-3-5-12(13)16/h3-6,9,21H,7-8,10H2,1-2H3,(H,17,20)/t16-/m1/s1
InChIKeyGDZPBOAMJFVGMW-MRXNPFEDSA-N
MW317.35 g/mol
LogP0.83
Rot. Bonds4

About N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 95984820) has the molecular formula C16H19N3O4 and a molecular weight of 317.35 g/mol. Its IUPAC name is N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID95984820
Molecular FormulaC16H19N3O4
Molecular Weight317.35 g/mol
Exact Mass317.14
IUPAC NameN-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)NC[C@]1(O)CCOc2ccccc21
InChIInChI=1S/C16H19N3O4/c1-19-9-11(15(18-19)22-2)14(20)17-10-16(21)7-8-23-13-6-4-3-5-12(13)16/h3-6,9,21H,7-8,10H2,1-2H3,(H,17,20)/t16-/m1/s1
InChIKeyGDZPBOAMJFVGMW-MRXNPFEDSA-N
XLogP0.83
TPSA85.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 95984820) is N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)NC[C@]1(O)CCOc2ccccc21.
What is the InChIKey of N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is GDZPBOAMJFVGMW-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H19N3O4/c1-19-9-11(15(18-19)22-2)14(20)17-10-16(21)7-8-23-13-6-4-3-5-12(13)16/h3-6,9,21H,7-8,10H2,1-2H3,(H,17,20)/t16-/m1/s1.
What are the key properties of N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 317.35 g/mol, XLogP of 0.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4S)-4-hydroxy-2,3-dihydrochromen-4-yl]methyl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 95984820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).