4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide

C10H18N4O2 — CID 58802992

IUPAC4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(CCOC)c(C(N)=O)c1N
InChIInChI=1S/C10H18N4O2/c1-3-4-7-8(11)9(10(12)15)14(13-7)5-6-16-2/h3-6,11H2,1-2H3,(H2,12,15)
InChIKeyYZLURMSOHHDSEI-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.16
Rot. Bonds6

About 4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide

4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide (PubChem CID 58802992) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide
PubChem CID58802992
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide
SMILESCCCc1nn(CCOC)c(C(N)=O)c1N
InChIInChI=1S/C10H18N4O2/c1-3-4-7-8(11)9(10(12)15)14(13-7)5-6-16-2/h3-6,11H2,1-2H3,(H2,12,15)
InChIKeyYZLURMSOHHDSEI-UHFFFAOYSA-N
XLogP0.16
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide (CID 58802992) is 4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide is CCCc1nn(CCOC)c(C(N)=O)c1N.
What is the InChIKey of 4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide?
The InChIKey is YZLURMSOHHDSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-4-7-8(11)9(10(12)15)14(13-7)5-6-16-2/h3-6,11H2,1-2H3,(H2,12,15).
What are the key properties of 4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide?
4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(2-methoxyethyl)-3-propylpyrazole-5-carboxamide is sourced from PubChem (CID 58802992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).