ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane

C14H29N3O — CID 170574655

IUPACethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane
SMILESCC.CCC.CCCc1[nH]nc(C(N)=O)c1CC
InChIInChI=1S/C9H15N3O.C3H8.C2H6/c1-3-5-7-6(4-2)8(9(10)13)12-11-7;1-3-2;1-2/h3-5H2,1-2H3,(H2,10,13)(H,11,12);3H2,1-2H3;1-2H3
InChIKeyPWUKXVCHKDWRAQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP3.47
Rot. Bonds4

About ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane

ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane (PubChem CID 170574655) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane.

Molecular Properties

Compound Nameethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane
PubChem CID170574655
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Nameethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane
SMILESCC.CCC.CCCc1[nH]nc(C(N)=O)c1CC
InChIInChI=1S/C9H15N3O.C3H8.C2H6/c1-3-5-7-6(4-2)8(9(10)13)12-11-7;1-3-2;1-2/h3-5H2,1-2H3,(H2,10,13)(H,11,12);3H2,1-2H3;1-2H3
InChIKeyPWUKXVCHKDWRAQ-UHFFFAOYSA-N
XLogP3.47
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane?
The IUPAC name of ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane (CID 170574655) is ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane.
What is the SMILES notation for ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane?
The canonical SMILES for ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane is CC.CCC.CCCc1[nH]nc(C(N)=O)c1CC.
What is the InChIKey of ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane?
The InChIKey is PWUKXVCHKDWRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O.C3H8.C2H6/c1-3-5-7-6(4-2)8(9(10)13)12-11-7;1-3-2;1-2/h3-5H2,1-2H3,(H2,10,13)(H,11,12);3H2,1-2H3;1-2H3.
What are the key properties of ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane?
ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane has a molecular weight of 255.41 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethyl-5-propyl-1H-pyrazole-3-carboxamide;propane is sourced from PubChem (CID 170574655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).