5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide

C13H22N4O — CID 47186970

IUPAC5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H22N4O/c1-3-17(4-2)8-7-14-13(18)12-9-11(15-16-12)10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyKVVRYHSYXVXVTK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.36
Rot. Bonds7

About 5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 47186970) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide
PubChem CID47186970
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide
SMILESCCN(CC)CCNC(=O)c1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H22N4O/c1-3-17(4-2)8-7-14-13(18)12-9-11(15-16-12)10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,16)
InChIKeyKVVRYHSYXVXVTK-UHFFFAOYSA-N
XLogP1.36
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide (CID 47186970) is 5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide is CCN(CC)CCNC(=O)c1cc(C2CC2)[nH]n1.
What is the InChIKey of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is KVVRYHSYXVXVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-3-17(4-2)8-7-14-13(18)12-9-11(15-16-12)10-5-6-10/h9-10H,3-8H2,1-2H3,(H,14,18)(H,15,16).
What are the key properties of 5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 250.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-[2-(diethylamino)ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 47186970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).