N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C16H15N5O2 — CID 20954237

IUPACN-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C16H15N5O2/c22-16(18-6-5-10-7-17-9-19-10)15-12-8-23-13-4-2-1-3-11(13)14(12)20-21-15/h1-4,7,9H,5-6,8H2,(H,17,19)(H,18,22)(H,20,21)
InChIKeyPPHGPIUNIXTSLR-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.66
Rot. Bonds4

About N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 20954237) has the molecular formula C16H15N5O2 and a molecular weight of 309.33 g/mol. Its IUPAC name is N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID20954237
Molecular FormulaC16H15N5O2
Molecular Weight309.33 g/mol
Exact Mass309.12
IUPAC NameN-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESO=C(NCCc1cnc[nH]1)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C16H15N5O2/c22-16(18-6-5-10-7-17-9-19-10)15-12-8-23-13-4-2-1-3-11(13)14(12)20-21-15/h1-4,7,9H,5-6,8H2,(H,17,19)(H,18,22)(H,20,21)
InChIKeyPPHGPIUNIXTSLR-UHFFFAOYSA-N
XLogP1.66
TPSA95.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 20954237) is N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is O=C(NCCc1cnc[nH]1)c1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is PPHGPIUNIXTSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O2/c22-16(18-6-5-10-7-17-9-19-10)15-12-8-23-13-4-2-1-3-11(13)14(12)20-21-15/h1-4,7,9H,5-6,8H2,(H,17,19)(H,18,22)(H,20,21).
What are the key properties of N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 309.33 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-imidazol-5-yl)ethyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 20954237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).