N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide

C16H25N3O2 — CID 171359770

IUPACN-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide
SMILESCc1c(NC(=O)C2CC2C2CCOCC2)n[nH]c1C(C)C
InChIInChI=1S/C16H25N3O2/c1-9(2)14-10(3)15(19-18-14)17-16(20)13-8-12(13)11-4-6-21-7-5-11/h9,11-13H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyZPPCVWKONFFAJH-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.84
Rot. Bonds4

About N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide

N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide (PubChem CID 171359770) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide
PubChem CID171359770
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC NameN-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide
SMILESCc1c(NC(=O)C2CC2C2CCOCC2)n[nH]c1C(C)C
InChIInChI=1S/C16H25N3O2/c1-9(2)14-10(3)15(19-18-14)17-16(20)13-8-12(13)11-4-6-21-7-5-11/h9,11-13H,4-8H2,1-3H3,(H2,17,18,19,20)
InChIKeyZPPCVWKONFFAJH-UHFFFAOYSA-N
XLogP2.84
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide (CID 171359770) is N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide is Cc1c(NC(=O)C2CC2C2CCOCC2)n[nH]c1C(C)C.
What is the InChIKey of N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide?
The InChIKey is ZPPCVWKONFFAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-9(2)14-10(3)15(19-18-14)17-16(20)13-8-12(13)11-4-6-21-7-5-11/h9,11-13H,4-8H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide?
N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide has a molecular weight of 291.39 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-5-propan-2-yl-1H-pyrazol-3-yl)-2-(oxan-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 171359770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).