4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide

C13H24N4O2 — CID 66123112

IUPAC4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C13H24N4O2/c1-5-17-12(11(14)10(4)15-17)13(19)16(9(2)3)7-6-8-18/h9,18H,5-8,14H2,1-4H3
InChIKeyFIWLLWXSZJRZPX-UHFFFAOYSA-N
MW268.36 g/mol
LogP1.03
Rot. Bonds6

About 4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide

4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide (PubChem CID 66123112) has the molecular formula C13H24N4O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide
PubChem CID66123112
Molecular FormulaC13H24N4O2
Molecular Weight268.36 g/mol
Exact Mass268.19
IUPAC Name4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide
SMILESCCn1nc(C)c(N)c1C(=O)N(CCCO)C(C)C
InChIInChI=1S/C13H24N4O2/c1-5-17-12(11(14)10(4)15-17)13(19)16(9(2)3)7-6-8-18/h9,18H,5-8,14H2,1-4H3
InChIKeyFIWLLWXSZJRZPX-UHFFFAOYSA-N
XLogP1.03
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide (CID 66123112) is 4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C)c(N)c1C(=O)N(CCCO)C(C)C.
What is the InChIKey of 4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide?
The InChIKey is FIWLLWXSZJRZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O2/c1-5-17-12(11(14)10(4)15-17)13(19)16(9(2)3)7-6-8-18/h9,18H,5-8,14H2,1-4H3.
What are the key properties of 4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide?
4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-(3-hydroxypropyl)-3-methyl-N-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 66123112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).