N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

C14H24N4O2 — CID 60960230

IUPACN-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C14H24N4O2/c1-10-13(11(2)16-15-10)14(20)18(8-9-19)12-4-6-17(3)7-5-12/h12,19H,4-9H2,1-3H3,(H,15,16)
InChIKeyMHOSSPWLIOHIFP-UHFFFAOYSA-N
MW280.37 g/mol
LogP0.56
Rot. Bonds4

About N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide

N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (PubChem CID 60960230) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
PubChem CID60960230
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC NameN-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)N(CCO)C1CCN(C)CC1
InChIInChI=1S/C14H24N4O2/c1-10-13(11(2)16-15-10)14(20)18(8-9-19)12-4-6-17(3)7-5-12/h12,19H,4-9H2,1-3H3,(H,15,16)
InChIKeyMHOSSPWLIOHIFP-UHFFFAOYSA-N
XLogP0.56
TPSA72.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide (CID 60960230) is N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)N(CCO)C1CCN(C)CC1.
What is the InChIKey of N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is MHOSSPWLIOHIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-10-13(11(2)16-15-10)14(20)18(8-9-19)12-4-6-17(3)7-5-12/h12,19H,4-9H2,1-3H3,(H,15,16).
What are the key properties of N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide?
N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 280.37 g/mol, XLogP of 0.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-3,5-dimethyl-N-(1-methylpiperidin-4-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 60960230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).