3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide

C12H19ClN4O3 — CID 90647328

IUPAC3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOCCN(CC1CCCO1)C(=O)c1[nH]nc(N)c1Cl
InChIInChI=1S/C12H19ClN4O3/c1-19-6-4-17(7-8-3-2-5-20-8)12(18)10-9(13)11(14)16-15-10/h8H,2-7H2,1H3,(H3,14,15,16)
InChIKeyDDXVFXPXRPPBTH-UHFFFAOYSA-N
MW302.76 g/mol
LogP0.91
Rot. Bonds6

About 3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide

3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide (PubChem CID 90647328) has the molecular formula C12H19ClN4O3 and a molecular weight of 302.76 g/mol. Its IUPAC name is 3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
PubChem CID90647328
Molecular FormulaC12H19ClN4O3
Molecular Weight302.76 g/mol
Exact Mass302.11
IUPAC Name3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide
SMILESCOCCN(CC1CCCO1)C(=O)c1[nH]nc(N)c1Cl
InChIInChI=1S/C12H19ClN4O3/c1-19-6-4-17(7-8-3-2-5-20-8)12(18)10-9(13)11(14)16-15-10/h8H,2-7H2,1H3,(H3,14,15,16)
InChIKeyDDXVFXPXRPPBTH-UHFFFAOYSA-N
XLogP0.91
TPSA93.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide 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-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide (CID 90647328) is 3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide is COCCN(CC1CCCO1)C(=O)c1[nH]nc(N)c1Cl.
What is the InChIKey of 3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is DDXVFXPXRPPBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O3/c1-19-6-4-17(7-8-3-2-5-20-8)12(18)10-9(13)11(14)16-15-10/h8H,2-7H2,1H3,(H3,14,15,16).
What are the key properties of 3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide?
3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 302.76 g/mol, XLogP of 0.91, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-N-(2-methoxyethyl)-N-(oxolan-2-ylmethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90647328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).