4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide

C12H18N6O — CID 65357912

IUPAC4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H18N6O/c1-4-18-7-9(13)11(15-18)12(19)17(3)8-10-14-5-6-16(10)2/h5-7H,4,8,13H2,1-3H3
InChIKeySMAULYMDUKXHPP-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.49
Rot. Bonds4

About 4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide

4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 65357912) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
PubChem CID65357912
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
SMILESCCn1cc(N)c(C(=O)N(C)Cc2nccn2C)n1
InChIInChI=1S/C12H18N6O/c1-4-18-7-9(13)11(15-18)12(19)17(3)8-10-14-5-6-16(10)2/h5-7H,4,8,13H2,1-3H3
InChIKeySMAULYMDUKXHPP-UHFFFAOYSA-N
XLogP0.49
TPSA81.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-1-ethyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide
CID 65362915
4-amino-1-ethyl-N-(2-hydroxyethyl)-N-methylpyrazole-3-carboxamide
CID 65359090
4-amino-1-ethyl-N-[(2-hydroxyphenyl)methyl]-N-methylpyrazole-3-carboxamide
CID 65358055
5-amino-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 113383759
4-amino-1-ethyl-N-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 65358594
ethyl 3-[(4-amino-1-ethylpyrazole-3-carbonyl)-methylamino]propanoate
CID 65358214
4-amino-N-[2-(tert-butylamino)-2-oxoethyl]-1-ethyl-N-methylpyrazole-3-carboxamide
CID 65357964
3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61115484
4-amino-1-ethyl-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazole-3-carboxamide
CID 114946837
2-(3-aminopyrazol-1-yl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]acetamide
CID 62112067
4-amino-1-ethyl-N-(2-hydroxy-3-methoxypropyl)-N-methylpyrazole-3-carboxamide
CID 65358116
5-amino-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 61116431

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide (CID 65357912) is 4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide is CCn1cc(N)c(C(=O)N(C)Cc2nccn2C)n1.
What is the InChIKey of 4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide?
The InChIKey is SMAULYMDUKXHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-4-18-7-9(13)11(15-18)12(19)17(3)8-10-14-5-6-16(10)2/h5-7H,4,8,13H2,1-3H3.
What are the key properties of 4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide?
4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 262.32 g/mol, XLogP of 0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-ethyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 65357912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).