N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C14H15N3O3 — CID 91821763

IUPACN-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCC(CO)NC(=O)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C14H15N3O3/c1-8(6-18)15-14(19)13-10-7-20-11-5-3-2-4-9(11)12(10)16-17-13/h2-5,8,18H,6-7H2,1H3,(H,15,19)(H,16,17)
InChIKeyJECVYLBDYAGZHX-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.08
Rot. Bonds3

About N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 91821763) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID91821763
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC NameN-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCC(CO)NC(=O)c1[nH]nc2c1COc1ccccc1-2
InChIInChI=1S/C14H15N3O3/c1-8(6-18)15-14(19)13-10-7-20-11-5-3-2-4-9(11)12(10)16-17-13/h2-5,8,18H,6-7H2,1H3,(H,15,19)(H,16,17)
InChIKeyJECVYLBDYAGZHX-UHFFFAOYSA-N
XLogP1.08
TPSA87.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 91821763) is N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is CC(CO)NC(=O)c1[nH]nc2c1COc1ccccc1-2.
What is the InChIKey of N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is JECVYLBDYAGZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-8(6-18)15-14(19)13-10-7-20-11-5-3-2-4-9(11)12(10)16-17-13/h2-5,8,18H,6-7H2,1H3,(H,15,19)(H,16,17).
What are the key properties of N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.08, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxypropan-2-yl)-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 91821763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).