1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide

C14H21N5O — CID 19477847

IUPAC1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)Cc2ccnn2CC)c(C)n1
InChIInChI=1S/C14H21N5O/c1-5-18-10-13(11(3)16-18)14(20)17(4)9-12-7-8-15-19(12)6-2/h7-8,10H,5-6,9H2,1-4H3
InChIKeyPOBRSRQYKCMAPE-UHFFFAOYSA-N
MW275.36 g/mol
LogP1.70
Rot. Bonds5

About 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide

1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide (PubChem CID 19477847) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
PubChem CID19477847
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide
SMILESCCn1cc(C(=O)N(C)Cc2ccnn2CC)c(C)n1
InChIInChI=1S/C14H21N5O/c1-5-18-10-13(11(3)16-18)14(20)17(4)9-12-7-8-15-19(12)6-2/h7-8,10H,5-6,9H2,1-4H3
InChIKeyPOBRSRQYKCMAPE-UHFFFAOYSA-N
XLogP1.70
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide (CID 19477847) is 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide is CCn1cc(C(=O)N(C)Cc2ccnn2CC)c(C)n1.
What is the InChIKey of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
The InChIKey is POBRSRQYKCMAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-5-18-10-13(11(3)16-18)14(20)17(4)9-12-7-8-15-19(12)6-2/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide?
1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide has a molecular weight of 275.36 g/mol, XLogP of 1.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(2-ethylpyrazol-3-yl)methyl]-N,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 19477847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).