N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

C19H25N3O2 — CID 46992006

IUPACN-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1cccc(CN(CC(C)C)C(=O)c2n[nH]c3c2CCC3)c1
InChIInChI=1S/C19H25N3O2/c1-13(2)11-22(12-14-6-4-7-15(10-14)24-3)19(23)18-16-8-5-9-17(16)20-21-18/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3,(H,20,21)
InChIKeyNTWMRBBXTUBMHF-UHFFFAOYSA-N
MW327.43 g/mol
LogP3.21
Rot. Bonds6

About N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide

N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (PubChem CID 46992006) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
PubChem CID46992006
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC NameN-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
SMILESCOc1cccc(CN(CC(C)C)C(=O)c2n[nH]c3c2CCC3)c1
InChIInChI=1S/C19H25N3O2/c1-13(2)11-22(12-14-6-4-7-15(10-14)24-3)19(23)18-16-8-5-9-17(16)20-21-18/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3,(H,20,21)
InChIKeyNTWMRBBXTUBMHF-UHFFFAOYSA-N
XLogP3.21
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methoxy-N-(2-methylpropyl)-N-[(3-phenylmethoxyphenyl)methyl]benzamide
CID 42725516
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 118755066
N-[[(2S)-oxolan-2-yl]methyl]-N-[[3-(2-thiophen-3-ylethoxy)phenyl]methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 42479618
N-[2-[3-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]propyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 118758041
[3-[[(4-methoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] 4-fluorobenzenesulfonate
CID 4120583
N-[(3-methoxyphenyl)methyl]-3-[(3R)-1-(4,5,6,7-tetrahydro-1H-indazole-3-carbonyl)piperidin-3-yl]propanamide
CID 42515116
N-[[4-(2,3-dihydro-1H-inden-2-yloxy)-3-methoxyphenyl]methyl]-N-(oxolan-2-ylmethyl)-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 45235774
N-[[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methyl-N-(2-methylpropyl)benzamide
CID 51070477
[3-[[(2-methoxybenzoyl)-(2-methylpropyl)amino]methyl]phenyl] methanesulfonate
CID 3430824
N-[(E)-(3-methoxyphenyl)methylideneamino]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 6865820
N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388801
N-methyl-N-phenyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110388880

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide (CID 46992006) is N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is COc1cccc(CN(CC(C)C)C(=O)c2n[nH]c3c2CCC3)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
The InChIKey is NTWMRBBXTUBMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-13(2)11-22(12-14-6-4-7-15(10-14)24-3)19(23)18-16-8-5-9-17(16)20-21-18/h4,6-7,10,13H,5,8-9,11-12H2,1-3H3,(H,20,21).
What are the key properties of N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide?
N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-N-(2-methylpropyl)-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide is sourced from PubChem (CID 46992006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).