N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

C21H28N4O2 — CID 20954255

IUPACN-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCN(CCCNC(=O)c1[nH]nc2c1COc1ccccc1-2)C1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-25(15-8-3-2-4-9-15)13-7-12-22-21(26)20-17-14-27-18-11-6-5-10-16(18)19(17)23-24-20/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyDUFRQCSWAUMOJO-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.35
Rot. Bonds6

About N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide

N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (PubChem CID 20954255) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
PubChem CID20954255
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC NameN-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide
SMILESCN(CCCNC(=O)c1[nH]nc2c1COc1ccccc1-2)C1CCCCC1
InChIInChI=1S/C21H28N4O2/c1-25(15-8-3-2-4-9-15)13-7-12-22-21(26)20-17-14-27-18-11-6-5-10-16(18)19(17)23-24-20/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3,(H,22,26)(H,23,24)
InChIKeyDUFRQCSWAUMOJO-UHFFFAOYSA-N
XLogP3.35
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The IUPAC name of N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide (CID 20954255) is N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide.
What is the SMILES notation for N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The canonical SMILES for N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is CN(CCCNC(=O)c1[nH]nc2c1COc1ccccc1-2)C1CCCCC1.
What is the InChIKey of N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
The InChIKey is DUFRQCSWAUMOJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-25(15-8-3-2-4-9-15)13-7-12-22-21(26)20-17-14-27-18-11-6-5-10-16(18)19(17)23-24-20/h5-6,10-11,15H,2-4,7-9,12-14H2,1H3,(H,22,26)(H,23,24).
What are the key properties of N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide?
N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[cyclohexyl(methyl)amino]propyl]-2,4-dihydrochromeno[4,3-c]pyrazole-3-carboxamide is sourced from PubChem (CID 20954255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).