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

C9H16N4O2 — CID 65359090

IUPAC4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CCO)n1
InChIInChI=1S/C9H16N4O2/c1-3-13-6-7(10)8(11-13)9(15)12(2)4-5-14/h6,14H,3-5,10H2,1-2H3
InChIKeySWINHJZYNNROGS-UHFFFAOYSA-N
MW212.25 g/mol
LogP-0.45
Rot. Bonds4

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

4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide (PubChem CID 65359090) has the molecular formula C9H16N4O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
PubChem CID65359090
Molecular FormulaC9H16N4O2
Molecular Weight212.25 g/mol
Exact Mass212.13
IUPAC Name4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)CCO)n1
InChIInChI=1S/C9H16N4O2/c1-3-13-6-7(10)8(11-13)9(15)12(2)4-5-14/h6,14H,3-5,10H2,1-2H3
InChIKeySWINHJZYNNROGS-UHFFFAOYSA-N
XLogP-0.45
TPSA84.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 5-0.45
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-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide (CID 65359090) is 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(C)CCO)n1.
What is the InChIKey of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is SWINHJZYNNROGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O2/c1-3-13-6-7(10)8(11-13)9(15)12(2)4-5-14/h6,14H,3-5,10H2,1-2H3.
What are the key properties of 4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide?
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 212.25 g/mol, XLogP of -0.45, 4 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-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 65359090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).