3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one

C21H28N4O2 — CID 56709076

IUPAC3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1ccc(-n2cccn2)c(CN2CCC3(CCNC(=O)CC3)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-27-18-3-4-19(25-12-2-10-23-25)17(15-18)16-24-13-8-21(9-14-24)6-5-20(26)22-11-7-21/h2-4,10,12,15H,5-9,11,13-14,16H2,1H3,(H,22,26)
InChIKeyZJOLZYJWZUOHJH-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.76
Rot. Bonds4

About 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one

3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one (PubChem CID 56709076) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one.

Molecular Properties

Compound Name3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
PubChem CID56709076
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
SMILESCOc1ccc(-n2cccn2)c(CN2CCC3(CCNC(=O)CC3)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-27-18-3-4-19(25-12-2-10-23-25)17(15-18)16-24-13-8-21(9-14-24)6-5-20(26)22-11-7-21/h2-4,10,12,15H,5-9,11,13-14,16H2,1H3,(H,22,26)
InChIKeyZJOLZYJWZUOHJH-UHFFFAOYSA-N
XLogP2.76
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630357
9-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-methyl-1-oxa-9-azaspiro[5.5]undec-4-ene
CID 135111222
ethyl 4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine-1-carboxylate
CID 91767325
1-(furan-2-ylmethyl)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]piperazine
CID 135096544
1-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-4-(oxan-4-yl)piperazine
CID 74246666
3-(2-pyrazol-1-ylethyl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 118787599
2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-6-methylsulfanyl-3,4-dihydro-1H-isoquinoline
CID 77095109
3-(7-methoxy-4-methylquinazolin-2-yl)-3,10-diazaspiro[5.6]dodecan-9-one
CID 56703648
(4aS,7aR)-4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-1-methyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 133128684
(3aS,4S,7aR)-4-ethyl-2-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,3a,5,6,7,7a-hexahydro-1H-isoindol-4-ol
CID 163306018
1-[2-[[(3R)-3-(3-chlorophenyl)pyrrolidin-1-yl]methyl]-4-methoxyphenyl]pyrazole
CID 99947179
4-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-2-(2H-tetrazol-5-yl)morpholine
CID 157018475

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The IUPAC name of 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one (CID 56709076) is 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one.
What is the SMILES notation for 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The canonical SMILES for 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one is COc1ccc(-n2cccn2)c(CN2CCC3(CCNC(=O)CC3)CC2)c1.
What is the InChIKey of 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
The InChIKey is ZJOLZYJWZUOHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-27-18-3-4-19(25-12-2-10-23-25)17(15-18)16-24-13-8-21(9-14-24)6-5-20(26)22-11-7-21/h2-4,10,12,15H,5-9,11,13-14,16H2,1H3,(H,22,26).
What are the key properties of 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one?
3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one has a molecular weight of 368.48 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methoxy-2-pyrazol-1-ylphenyl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one is sourced from PubChem (CID 56709076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).