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

C16H24N4O5 — CID 59862691

IUPAC4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCOCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)C2(O)CC2)CC1
InChIInChI=1S/C16H24N4O5/c1-24-9-25-11-4-2-10(3-5-11)18-14(21)13-12(8-17-20-13)19-15(22)16(23)6-7-16/h8,10-11,23H,2-7,9H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyNREKRVKPIOIHOI-UHFFFAOYSA-N
MW352.39 g/mol
LogP0.53
Rot. Bonds7

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

4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide (PubChem CID 59862691) has the molecular formula C16H24N4O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide
PubChem CID59862691
Molecular FormulaC16H24N4O5
Molecular Weight352.39 g/mol
Exact Mass352.17
IUPAC Name4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide
SMILESCOCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)C2(O)CC2)CC1
InChIInChI=1S/C16H24N4O5/c1-24-9-25-11-4-2-10(3-5-11)18-14(21)13-12(8-17-20-13)19-15(22)16(23)6-7-16/h8,10-11,23H,2-7,9H2,1H3,(H,17,20)(H,18,21)(H,19,22)
InChIKeyNREKRVKPIOIHOI-UHFFFAOYSA-N
XLogP0.53
TPSA125.57 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 50.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide (CID 59862691) is 4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide is COCOC1CCC(NC(=O)c2[nH]ncc2NC(=O)C2(O)CC2)CC1.
What is the InChIKey of 4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide?
The InChIKey is NREKRVKPIOIHOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O5/c1-24-9-25-11-4-2-10(3-5-11)18-14(21)13-12(8-17-20-13)19-15(22)16(23)6-7-16/h8,10-11,23H,2-7,9H2,1H3,(H,17,20)(H,18,21)(H,19,22).
What are the key properties of 4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide?
4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide has a molecular weight of 352.39 g/mol, XLogP of 0.53, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopropanecarbonyl)amino]-N-[4-(methoxymethoxy)cyclohexyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 59862691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).