1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide

C10H17N5O2 — CID 17380916

IUPAC1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide
SMILESCCCNC(=O)Nc1cn(CC)nc1C(N)=O
InChIInChI=1S/C10H17N5O2/c1-3-5-12-10(17)13-7-6-15(4-2)14-8(7)9(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,17)
InChIKeyRRSFQTKMVMUAGE-UHFFFAOYSA-N
MW239.28 g/mol
LogP0.53
Rot. Bonds5

About 1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide

1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide (PubChem CID 17380916) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide
PubChem CID17380916
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC Name1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide
SMILESCCCNC(=O)Nc1cn(CC)nc1C(N)=O
InChIInChI=1S/C10H17N5O2/c1-3-5-12-10(17)13-7-6-15(4-2)14-8(7)9(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,17)
InChIKeyRRSFQTKMVMUAGE-UHFFFAOYSA-N
XLogP0.53
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 50.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide (CID 17380916) is 1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide is CCCNC(=O)Nc1cn(CC)nc1C(N)=O.
What is the InChIKey of 1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide?
The InChIKey is RRSFQTKMVMUAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-3-5-12-10(17)13-7-6-15(4-2)14-8(7)9(11)16/h6H,3-5H2,1-2H3,(H2,11,16)(H2,12,13,17).
What are the key properties of 1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide?
1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide has a molecular weight of 239.28 g/mol, XLogP of 0.53, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(propylcarbamoylamino)pyrazole-3-carboxamide is sourced from PubChem (CID 17380916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).