4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide

C11H15ClN6O — CID 19620445

IUPAC4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCn1cc(Cl)cn1
InChIInChI=1S/C11H15ClN6O/c1-2-18-10(9(13)6-16-18)11(19)14-3-4-17-7-8(12)5-15-17/h5-7H,2-4,13H2,1H3,(H,14,19)
InChIKeyXFXOTIPGEPPGAP-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.77
Rot. Bonds5

About 4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide

4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide (PubChem CID 19620445) has the molecular formula C11H15ClN6O and a molecular weight of 282.73 g/mol. Its IUPAC name is 4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide
PubChem CID19620445
Molecular FormulaC11H15ClN6O
Molecular Weight282.73 g/mol
Exact Mass282.10
IUPAC Name4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCn1cc(Cl)cn1
InChIInChI=1S/C11H15ClN6O/c1-2-18-10(9(13)6-16-18)11(19)14-3-4-17-7-8(12)5-15-17/h5-7H,2-4,13H2,1H3,(H,14,19)
InChIKeyXFXOTIPGEPPGAP-UHFFFAOYSA-N
XLogP0.77
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-ethyl-N-[2-(triazol-1-yl)ethyl]pyrazole-5-carboxamide
CID 113412354
4-amino-1-ethyl-N-(2-methoxyethyl)pyrazole-5-carboxamide
CID 65356980
4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279
2-[(4-amino-1-ethylpyrazole-5-carbonyl)amino]ethyl carbamate
CID 83202536
4-amino-1-ethyl-N-(3-methylsulfanylpropyl)pyrazole-5-carboxamide
CID 65359115
4-amino-N-(4-chlorophenyl)-1-ethylpyrazole-5-carboxamide
CID 65357708
4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
CID 65359190
3-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]propanamide
CID 19283459
4-amino-N-butyl-1-propylpyrazole-5-carboxamide
CID 132586632
4-amino-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 65358766
4-amino-N-[(1,3-dimethylpyrazol-4-yl)methyl]-1-ethylpyrazole-5-carboxamide
CID 19620425
4-amino-1-ethyl-N-[2-(3-methylbutoxy)ethyl]pyrazole-5-carboxamide
CID 65359199

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide (CID 19620445) is 4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCCn1cc(Cl)cn1.
What is the InChIKey of 4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide?
The InChIKey is XFXOTIPGEPPGAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN6O/c1-2-18-10(9(13)6-16-18)11(19)14-3-4-17-7-8(12)5-15-17/h5-7H,2-4,13H2,1H3,(H,14,19).
What are the key properties of 4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide?
4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide is sourced from PubChem (CID 19620445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).