N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide

C12H17N5O — CID 56865921

IUPACN-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C12H17N5O/c1-3-16(7-8-17-6-4-5-13-17)12(18)11-9-10(2)14-15-11/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyQRJRLNBBYZGQCV-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.08
Rot. Bonds5

About N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide

N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide (PubChem CID 56865921) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
PubChem CID56865921
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide
SMILESCCN(CCn1cccn1)C(=O)c1cc(C)[nH]n1
InChIInChI=1S/C12H17N5O/c1-3-16(7-8-17-6-4-5-13-17)12(18)11-9-10(2)14-15-11/h4-6,9H,3,7-8H2,1-2H3,(H,14,15)
InChIKeyQRJRLNBBYZGQCV-UHFFFAOYSA-N
XLogP1.08
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide (CID 56865921) is N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide is CCN(CCn1cccn1)C(=O)c1cc(C)[nH]n1.
What is the InChIKey of N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
The InChIKey is QRJRLNBBYZGQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-3-16(7-8-17-6-4-5-13-17)12(18)11-9-10(2)14-15-11/h4-6,9H,3,7-8H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide?
N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide has a molecular weight of 247.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-methyl-N-(2-pyrazol-1-ylethyl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56865921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).