3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide

C10H18N4O2 — CID 122171299

IUPAC3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
SMILESCCn1nc(N)cc1C(=O)NCCCOC
InChIInChI=1S/C10H18N4O2/c1-3-14-8(7-9(11)13-14)10(15)12-5-4-6-16-2/h7H,3-6H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyCMUUQJZXERTDDA-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.25
Rot. Bonds6

About 3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide

3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide (PubChem CID 122171299) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
PubChem CID122171299
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide
SMILESCCn1nc(N)cc1C(=O)NCCCOC
InChIInChI=1S/C10H18N4O2/c1-3-14-8(7-9(11)13-14)10(15)12-5-4-6-16-2/h7H,3-6H2,1-2H3,(H2,11,13)(H,12,15)
InChIKeyCMUUQJZXERTDDA-UHFFFAOYSA-N
XLogP0.25
TPSA82.17 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 ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The IUPAC name of 3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide (CID 122171299) is 3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide is CCn1nc(N)cc1C(=O)NCCCOC.
What is the InChIKey of 3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide?
The InChIKey is CMUUQJZXERTDDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-3-14-8(7-9(11)13-14)10(15)12-5-4-6-16-2/h7H,3-6H2,1-2H3,(H2,11,13)(H,12,15).
What are the key properties of 3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide?
3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N-(3-methoxypropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 122171299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).