[3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium

C19H27LrN6O3- — CID 154664668

IUPAC[3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium
SMILESCCCNC(=O)OC1CCC([CH-]c2cc(NC(=O)c3cn(C)nc3C)n[nH]2)C1.[Lr]
InChIInChI=1S/C19H27N6O3.Lr/c1-4-7-20-19(27)28-15-6-5-13(9-15)8-14-10-17(23-22-14)21-18(26)16-11-25(3)24-12(16)2;/h8,10-11,13,15H,4-7,9H2,1-3H3,(H,20,27)(H2,21,22,23,26);/q-1;
InChIKeyHOZTVTPXUWXRRD-UHFFFAOYSA-N
MW649.46 g/mol
LogP2.56
Rot. Bonds7

About [3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium

[3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium (PubChem CID 154664668) has the molecular formula C19H27LrN6O3- and a molecular weight of 649.46 g/mol. Its IUPAC name is [3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium.

Molecular Properties

Compound Name[3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium
PubChem CID154664668
Molecular FormulaC19H27LrN6O3-
Molecular Weight649.46 g/mol
Exact Mass649.32
IUPAC Name[3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium
SMILESCCCNC(=O)OC1CCC([CH-]c2cc(NC(=O)c3cn(C)nc3C)n[nH]2)C1.[Lr]
InChIInChI=1S/C19H27N6O3.Lr/c1-4-7-20-19(27)28-15-6-5-13(9-15)8-14-10-17(23-22-14)21-18(26)16-11-25(3)24-12(16)2;/h8,10-11,13,15H,4-7,9H2,1-3H3,(H,20,27)(H2,21,22,23,26);/q-1;
InChIKeyHOZTVTPXUWXRRD-UHFFFAOYSA-N
XLogP2.56
TPSA113.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500649.46
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium?
The IUPAC name of [3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium (CID 154664668) is [3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium.
What is the SMILES notation for [3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium?
The canonical SMILES for [3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium is CCCNC(=O)OC1CCC([CH-]c2cc(NC(=O)c3cn(C)nc3C)n[nH]2)C1.[Lr].
What is the InChIKey of [3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium?
The InChIKey is HOZTVTPXUWXRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N6O3.Lr/c1-4-7-20-19(27)28-15-6-5-13(9-15)8-14-10-17(23-22-14)21-18(26)16-11-25(3)24-12(16)2;/h8,10-11,13,15H,4-7,9H2,1-3H3,(H,20,27)(H2,21,22,23,26);/q-1;.
What are the key properties of [3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium?
[3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium has a molecular weight of 649.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-[(1,3-dimethylpyrazole-4-carbonyl)amino]-1H-pyrazol-5-yl]methyl]cyclopentyl] N-propylcarbamate;lawrencium is sourced from PubChem (CID 154664668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).