4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide

C10H18N4O2 — CID 102694323

IUPAC4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC(C)OC)c1N
InChIInChI=1S/C10H18N4O2/c1-4-7-8(11)9(14-13-7)10(15)12-5-6(2)16-3/h6H,4-5,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyJCKBJMGQRWGOSY-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.32
Rot. Bonds5

About 4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide

4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide (PubChem CID 102694323) has the molecular formula C10H18N4O2 and a molecular weight of 226.28 g/mol. Its IUPAC name is 4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide
PubChem CID102694323
Molecular FormulaC10H18N4O2
Molecular Weight226.28 g/mol
Exact Mass226.14
IUPAC Name4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide
SMILESCCc1[nH]nc(C(=O)NCC(C)OC)c1N
InChIInChI=1S/C10H18N4O2/c1-4-7-8(11)9(14-13-7)10(15)12-5-6(2)16-3/h6H,4-5,11H2,1-3H3,(H,12,15)(H,13,14)
InChIKeyJCKBJMGQRWGOSY-UHFFFAOYSA-N
XLogP0.32
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide (CID 102694323) is 4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide is CCc1[nH]nc(C(=O)NCC(C)OC)c1N.
What is the InChIKey of 4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide?
The InChIKey is JCKBJMGQRWGOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2/c1-4-7-8(11)9(14-13-7)10(15)12-5-6(2)16-3/h6H,4-5,11H2,1-3H3,(H,12,15)(H,13,14).
What are the key properties of 4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide?
4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide has a molecular weight of 226.28 g/mol, XLogP of 0.32, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-ethyl-N-(2-methoxypropyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 102694323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).