4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide

C11H20N4O3 — CID 65358116

IUPAC4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CC(O)COC)n1
InChIInChI=1S/C11H20N4O3/c1-4-15-6-9(12)10(13-15)11(17)14(2)5-8(16)7-18-3/h6,8,16H,4-5,7,12H2,1-3H3
InChIKeyDPCRUAVOKRLWMP-UHFFFAOYSA-N
MW256.31 g/mol
LogP-0.44
Rot. Bonds6

About 4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide

4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide (PubChem CID 65358116) has the molecular formula C11H20N4O3 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide
PubChem CID65358116
Molecular FormulaC11H20N4O3
Molecular Weight256.31 g/mol
Exact Mass256.15
IUPAC Name4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CC(O)COC)n1
InChIInChI=1S/C11H20N4O3/c1-4-15-6-9(12)10(13-15)11(17)14(2)5-8(16)7-18-3/h6,8,16H,4-5,7,12H2,1-3H3
InChIKeyDPCRUAVOKRLWMP-UHFFFAOYSA-N
XLogP-0.44
TPSA93.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide (CID 65358116) is 4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(C)CC(O)COC)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is DPCRUAVOKRLWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O3/c1-4-15-6-9(12)10(13-15)11(17)14(2)5-8(16)7-18-3/h6,8,16H,4-5,7,12H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide?
4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of -0.44, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65358116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).