N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide

C19H25N3O4 — CID 162796893

IUPACN-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(COc3ccccc3)CC(O)C(O)C2)n(C)n1
InChIInChI=1S/C19H25N3O4/c1-13-8-15(22(2)21-13)18(25)20-11-19(9-16(23)17(24)10-19)12-26-14-6-4-3-5-7-14/h3-8,16-17,23-24H,9-12H2,1-2H3,(H,20,25)
InChIKeyZPILFUJUURDMJT-UHFFFAOYSA-N
MW359.43 g/mol
LogP1.04
Rot. Bonds6

About N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide

N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide (PubChem CID 162796893) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
PubChem CID162796893
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC NameN-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCC2(COc3ccccc3)CC(O)C(O)C2)n(C)n1
InChIInChI=1S/C19H25N3O4/c1-13-8-15(22(2)21-13)18(25)20-11-19(9-16(23)17(24)10-19)12-26-14-6-4-3-5-7-14/h3-8,16-17,23-24H,9-12H2,1-2H3,(H,20,25)
InChIKeyZPILFUJUURDMJT-UHFFFAOYSA-N
XLogP1.04
TPSA96.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3R,4S)-3,4-dihydroxy-1-[[5-(trifluoromethyl)-2-pyridinyl]oxymethyl]cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 75367863
1-methyl-3-(2-methylpropyl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]pyrazole-5-carboxamide
CID 131939420
N-[[(3S,4R)-3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-1,2-oxazole-5-carboxamide
CID 75368018
3-methyl-N-[[1-(phenoxymethyl)cyclopropyl]methyl]imidazole-4-carboxamide
CID 122572722
N-[(1-hydroxycyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 66126067
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449752
N-[[1-(aminomethyl)cyclohexyl]methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 103970196
2-(5-amino-3-methylpyrazol-1-yl)-N-[[1-(phenoxymethyl)cyclopropyl]methyl]acetamide
CID 131942164
N-[[3,4-dihydroxy-1-[(6-methyl-2-pyridinyl)oxymethyl]cyclopentyl]methyl]-3-methoxybenzamide
CID 163027473
N-[(1-aminocyclohexyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 119404493
2,5-dimethyl-N-[2-(2-phenylphenoxy)ethyl]pyrazole-3-carboxamide
CID 51093613
1-[[(2,5-dimethylpyrazole-3-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440961

Frequently Asked Questions

What is the IUPAC name of N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The IUPAC name of N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide (CID 162796893) is N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The canonical SMILES for N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide is Cc1cc(C(=O)NCC2(COc3ccccc3)CC(O)C(O)C2)n(C)n1.
What is the InChIKey of N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
The InChIKey is ZPILFUJUURDMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-13-8-15(22(2)21-13)18(25)20-11-19(9-16(23)17(24)10-19)12-26-14-6-4-3-5-7-14/h3-8,16-17,23-24H,9-12H2,1-2H3,(H,20,25).
What are the key properties of N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide?
N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,4-dihydroxy-1-(phenoxymethyl)cyclopentyl]methyl]-2,5-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 162796893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).