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

C13H16N6O2 — CID 60615566

IUPACN-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(NC(=O)c1ccn[nH]1)C1CC1)c1ccn[nH]1
InChIInChI=1S/C13H16N6O2/c20-12(9-3-5-15-18-9)14-7-11(8-1-2-8)17-13(21)10-4-6-16-19-10/h3-6,8,11H,1-2,7H2,(H,14,20)(H,15,18)(H,16,19)(H,17,21)
InChIKeyWYKWXNJPLQJMLT-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.07
Rot. Bonds6

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

N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 60615566) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID60615566
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(NC(=O)c1ccn[nH]1)C1CC1)c1ccn[nH]1
InChIInChI=1S/C13H16N6O2/c20-12(9-3-5-15-18-9)14-7-11(8-1-2-8)17-13(21)10-4-6-16-19-10/h3-6,8,11H,1-2,7H2,(H,14,20)(H,15,18)(H,16,19)(H,17,21)
InChIKeyWYKWXNJPLQJMLT-UHFFFAOYSA-N
XLogP0.07
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide (CID 60615566) is N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide is O=C(NCC(NC(=O)c1ccn[nH]1)C1CC1)c1ccn[nH]1.
What is the InChIKey of N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is WYKWXNJPLQJMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c20-12(9-3-5-15-18-9)14-7-11(8-1-2-8)17-13(21)10-4-6-16-19-10/h3-6,8,11H,1-2,7H2,(H,14,20)(H,15,18)(H,16,19)(H,17,21).
What are the key properties of N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide?
N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.07, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-cyclopropyl-2-(1H-pyrazole-5-carbonylamino)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 60615566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).