2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide

C12H18N6O — CID 43695053

IUPAC2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
SMILESCc1nn(C)c(C)c1CNc1cnn(CC(N)=O)c1
InChIInChI=1S/C12H18N6O/c1-8-11(9(2)17(3)16-8)5-14-10-4-15-18(6-10)7-12(13)19/h4,6,14H,5,7H2,1-3H3,(H2,13,19)
InChIKeyUOAOAMWFAAQNBV-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.33
Rot. Bonds5

About 2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide

2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide (PubChem CID 43695053) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
PubChem CID43695053
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
SMILESCc1nn(C)c(C)c1CNc1cnn(CC(N)=O)c1
InChIInChI=1S/C12H18N6O/c1-8-11(9(2)17(3)16-8)5-14-10-4-15-18(6-10)7-12(13)19/h4,6,14H,5,7H2,1-3H3,(H2,13,19)
InChIKeyUOAOAMWFAAQNBV-UHFFFAOYSA-N
XLogP0.33
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 ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
2-[4-[(4-ethylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695116
2-[4-[(5-methyl-1H-pyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide
CID 43695305
2-[4-[(4-tert-butylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 43695086
2-[4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928879
1-ethyl-N-[(5-fluoro-1,3-dimethylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122169134
2-[4-[(3-chloro-4-methylphenyl)methylamino]pyrazol-1-yl]acetamide
CID 106816369
2-[4-(pyrazin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 62761635
tert-butyl N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]carbamate
CID 65143031
2-(4-bromo-3-methylpyrazol-1-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]acetamide
CID 19282200
2-[4-(4-methylsulfanylbutylamino)pyrazol-1-yl]acetamide
CID 103087519
methyl N-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]phenyl]carbamate
CID 43730207

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide (CID 43695053) is 2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide is Cc1nn(C)c(C)c1CNc1cnn(CC(N)=O)c1.
What is the InChIKey of 2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide?
The InChIKey is UOAOAMWFAAQNBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8-11(9(2)17(3)16-8)5-14-10-4-15-18(6-10)7-12(13)19/h4,6,14H,5,7H2,1-3H3,(H2,13,19).
What are the key properties of 2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide?
2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide has a molecular weight of 262.32 g/mol, XLogP of 0.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]pyrazol-1-yl]acetamide is sourced from PubChem (CID 43695053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).