4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide

C12H20N4O3 — CID 59862814

IUPAC4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCOCOC1CCC(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C12H20N4O3/c1-18-7-19-9-4-2-8(3-5-9)15-12(17)11-10(13)6-14-16-11/h6,8-9H,2-5,7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyWGCVFYGNGOIMQN-UHFFFAOYSA-N
MW268.32 g/mol
LogP0.65
Rot. Bonds5

About 4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide

4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 59862814) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID59862814
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCOCOC1CCC(NC(=O)c2[nH]ncc2N)CC1
InChIInChI=1S/C12H20N4O3/c1-18-7-19-9-4-2-8(3-5-9)15-12(17)11-10(13)6-14-16-11/h6,8-9H,2-5,7,13H2,1H3,(H,14,16)(H,15,17)
InChIKeyWGCVFYGNGOIMQN-UHFFFAOYSA-N
XLogP0.65
TPSA102.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide (CID 59862814) is 4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide is COCOC1CCC(NC(=O)c2[nH]ncc2N)CC1.
What is the InChIKey of 4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WGCVFYGNGOIMQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-18-7-19-9-4-2-8(3-5-9)15-12(17)11-10(13)6-14-16-11/h6,8-9H,2-5,7,13H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide?
4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 268.32 g/mol, XLogP of 0.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59862814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).