[3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

C20H30N6O4 — CID 155025571

IUPAC[3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCOCCn1nccc1C(=O)Nc1cc(C2CCC(OC(=O)NC(C)(C)C)C2)[nH]n1
InChIInChI=1S/C20H30N6O4/c1-20(2,3)23-19(28)30-14-6-5-13(11-14)15-12-17(25-24-15)22-18(27)16-7-8-21-26(16)9-10-29-4/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,23,28)(H2,22,24,25,27)
InChIKeyBLELTOJALMSJPZ-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.67
Rot. Bonds7

About [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate

[3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (PubChem CID 155025571) has the molecular formula C20H30N6O4 and a molecular weight of 418.50 g/mol. Its IUPAC name is [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
PubChem CID155025571
Molecular FormulaC20H30N6O4
Molecular Weight418.50 g/mol
Exact Mass418.23
IUPAC Name[3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate
SMILESCOCCn1nccc1C(=O)Nc1cc(C2CCC(OC(=O)NC(C)(C)C)C2)[nH]n1
InChIInChI=1S/C20H30N6O4/c1-20(2,3)23-19(28)30-14-6-5-13(11-14)15-12-17(25-24-15)22-18(27)16-7-8-21-26(16)9-10-29-4/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,23,28)(H2,22,24,25,27)
InChIKeyBLELTOJALMSJPZ-UHFFFAOYSA-N
XLogP2.67
TPSA123.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The IUPAC name of [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate (CID 155025571) is [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The canonical SMILES for [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is COCCn1nccc1C(=O)Nc1cc(C2CCC(OC(=O)NC(C)(C)C)C2)[nH]n1.
What is the InChIKey of [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
The InChIKey is BLELTOJALMSJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N6O4/c1-20(2,3)23-19(28)30-14-6-5-13(11-14)15-12-17(25-24-15)22-18(27)16-7-8-21-26(16)9-10-29-4/h7-8,12-14H,5-6,9-11H2,1-4H3,(H,23,28)(H2,22,24,25,27).
What are the key properties of [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate?
[3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate has a molecular weight of 418.50 g/mol, XLogP of 2.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-[[2-(2-methoxyethyl)pyrazole-3-carbonyl]amino]-1H-pyrazol-5-yl]cyclopentyl] N-tert-butylcarbamate is sourced from PubChem (CID 155025571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).