4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide

C12H18N6O — CID 65359190

IUPAC4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCc1nccn1C
InChIInChI=1S/C12H18N6O/c1-3-18-11(9(13)8-16-18)12(19)15-5-4-10-14-6-7-17(10)2/h6-8H,3-5,13H2,1-2H3,(H,15,19)
InChIKeyTVNZCPOEMQAQEO-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.19
Rot. Bonds5

About 4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide

4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 65359190) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
PubChem CID65359190
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc(N)c1C(=O)NCCc1nccn1C
InChIInChI=1S/C12H18N6O/c1-3-18-11(9(13)8-16-18)12(19)15-5-4-10-14-6-7-17(10)2/h6-8H,3-5,13H2,1-2H3,(H,15,19)
InChIKeyTVNZCPOEMQAQEO-UHFFFAOYSA-N
XLogP0.19
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.19
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-N-[2-(3,5-difluorophenyl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 65358766
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-[2-(4-chloropyrazol-1-yl)ethyl]-1-ethylpyrazole-5-carboxamide
CID 19620445
4-amino-1-ethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 106413375
4-amino-N-cyclopropyl-1-ethylpyrazole-5-carboxamide
CID 65356982
4-amino-1-ethyl-N-(2-morpholin-4-ylethyl)pyrazole-5-carboxamide
CID 65357279
3-[2-(1-methylimidazol-2-yl)ethylamino]-3-oxopropanoic acid
CID 62232290
4-amino-1-ethyl-N-[2-(N-methylanilino)ethyl]pyrazole-5-carboxamide
CID 65357594
4-amino-N-butyl-1-propylpyrazole-5-carboxamide
CID 132586632

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide (CID 65359190) is 4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide is CCn1ncc(N)c1C(=O)NCCc1nccn1C.
What is the InChIKey of 4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is TVNZCPOEMQAQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-3-18-11(9(13)8-16-18)12(19)15-5-4-10-14-6-7-17(10)2/h6-8H,3-5,13H2,1-2H3,(H,15,19).
What are the key properties of 4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide?
4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 65359190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).