N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide

C12H22N4O — CID 104556601

IUPACN-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C(C)CN)n(CC)n1
InChIInChI=1S/C12H22N4O/c1-5-10-7-11(16(6-2)14-10)12(17)15(4)9(3)8-13/h7,9H,5-6,8,13H2,1-4H3
InChIKeySHPSVROLGJQTRG-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.88
Rot. Bonds5

About N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide

N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide (PubChem CID 104556601) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
PubChem CID104556601
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(C)C(C)CN)n(CC)n1
InChIInChI=1S/C12H22N4O/c1-5-10-7-11(16(6-2)14-10)12(17)15(4)9(3)8-13/h7,9H,5-6,8,13H2,1-4H3
InChIKeySHPSVROLGJQTRG-UHFFFAOYSA-N
XLogP0.88
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide (CID 104556601) is N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide is CCc1cc(C(=O)N(C)C(C)CN)n(CC)n1.
What is the InChIKey of N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide?
The InChIKey is SHPSVROLGJQTRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-10-7-11(16(6-2)14-10)12(17)15(4)9(3)8-13/h7,9H,5-6,8,13H2,1-4H3.
What are the key properties of N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide?
N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-1,3-diethyl-N-methylpyrazole-5-carboxamide is sourced from PubChem (CID 104556601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).