N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

C23H32N4O3 — CID 154578957

IUPACN-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
SMILESCC(C)n1nc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)c2c1CCOC2
InChIInChI=1S/C23H32N4O3/c1-17(2)27-22-9-12-30-16-20(22)21(25-27)7-8-23(28)24-15-18-3-5-19(6-4-18)26-10-13-29-14-11-26/h3-6,17H,7-16H2,1-2H3,(H,24,28)
InChIKeyQENWUSGQNRJZNF-UHFFFAOYSA-N
MW412.53 g/mol
LogP2.62
Rot. Bonds7

About N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide

N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (PubChem CID 154578957) has the molecular formula C23H32N4O3 and a molecular weight of 412.53 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
PubChem CID154578957
Molecular FormulaC23H32N4O3
Molecular Weight412.53 g/mol
Exact Mass412.25
IUPAC NameN-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
SMILESCC(C)n1nc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)c2c1CCOC2
InChIInChI=1S/C23H32N4O3/c1-17(2)27-22-9-12-30-16-20(22)21(25-27)7-8-23(28)24-15-18-3-5-19(6-4-18)26-10-13-29-14-11-26/h3-6,17H,7-16H2,1-2H3,(H,24,28)
InChIKeyQENWUSGQNRJZNF-UHFFFAOYSA-N
XLogP2.62
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.53
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[(5-methylfuran-2-yl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154578923
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146072655
N-[(3-methylphenyl)methyl]-3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 154578982
2-(4-ethoxyphenyl)-N-[(4-morpholin-4-ylphenyl)methyl]acetamide
CID 28784276
(4-morpholin-4-ylphenyl)methylurea
CID 142276122
N-tert-butyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110649192
N-cyclopropyl-3-(4-morpholin-4-ylphenyl)propanamide
CID 110647271
N-[(4-morpholin-4-ylphenyl)methyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86831395
N-[(4-morpholin-4-ylphenyl)methyl]oxolane-2-carboxamide
CID 110405121
N-[2-(diethylamino)propyl]-2-(4-morpholin-4-ylphenyl)acetamide
CID 110620370
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-[(4-morpholin-4-ylphenyl)methyl]propanamide
CID 53174881
1-[(4-morpholin-4-ylphenyl)methyl]-3-(4-propan-2-ylphenyl)urea
CID 86830614

Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The IUPAC name of N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide (CID 154578957) is N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide.
What is the SMILES notation for N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The canonical SMILES for N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is CC(C)n1nc(CCC(=O)NCc2ccc(N3CCOCC3)cc2)c2c1CCOC2.
What is the InChIKey of N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
The InChIKey is QENWUSGQNRJZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O3/c1-17(2)27-22-9-12-30-16-20(22)21(25-27)7-8-23(28)24-15-18-3-5-19(6-4-18)26-10-13-29-14-11-26/h3-6,17H,7-16H2,1-2H3,(H,24,28).
What are the key properties of N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide?
N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide has a molecular weight of 412.53 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylphenyl)methyl]-3-(1-propan-2-yl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide is sourced from PubChem (CID 154578957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).