N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide

C16H24N4O3 — CID 126802260

IUPACN-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2(C(N)=O)CCOCC2)nn1C(C)C1CC1
InChIInChI=1S/C16H24N4O3/c1-10-9-13(19-20(10)11(2)12-3-4-12)14(21)18-16(15(17)22)5-7-23-8-6-16/h9,11-12H,3-8H2,1-2H3,(H2,17,22)(H,18,21)
InChIKeySLXWJDSMMNZMFV-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.93
Rot. Bonds5

About N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide

N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide (PubChem CID 126802260) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide
PubChem CID126802260
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide
SMILESCc1cc(C(=O)NC2(C(N)=O)CCOCC2)nn1C(C)C1CC1
InChIInChI=1S/C16H24N4O3/c1-10-9-13(19-20(10)11(2)12-3-4-12)14(21)18-16(15(17)22)5-7-23-8-6-16/h9,11-12H,3-8H2,1-2H3,(H2,17,22)(H,18,21)
InChIKeySLXWJDSMMNZMFV-UHFFFAOYSA-N
XLogP0.93
TPSA99.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide (CID 126802260) is N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide is Cc1cc(C(=O)NC2(C(N)=O)CCOCC2)nn1C(C)C1CC1.
What is the InChIKey of N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide?
The InChIKey is SLXWJDSMMNZMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-10-9-13(19-20(10)11(2)12-3-4-12)14(21)18-16(15(17)22)5-7-23-8-6-16/h9,11-12H,3-8H2,1-2H3,(H2,17,22)(H,18,21).
What are the key properties of N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide?
N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbamoyloxan-4-yl)-1-(1-cyclopropylethyl)-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 126802260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).