2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide

C8H14N4O — CID 43647536

IUPAC2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(N)=O)c(C)c1CN
InChIInChI=1S/C8H14N4O/c1-5-7(3-9)6(2)12(11-5)4-8(10)13/h3-4,9H2,1-2H3,(H2,10,13)
InChIKeyVPCNODYJNFWIAC-UHFFFAOYSA-N
MW182.23 g/mol
LogP-0.56
Rot. Bonds3

About 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide

2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide (PubChem CID 43647536) has the molecular formula C8H14N4O and a molecular weight of 182.23 g/mol. Its IUPAC name is 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
PubChem CID43647536
Molecular FormulaC8H14N4O
Molecular Weight182.23 g/mol
Exact Mass182.12
IUPAC Name2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide
SMILESCc1nn(CC(N)=O)c(C)c1CN
InChIInChI=1S/C8H14N4O/c1-5-7(3-9)6(2)12(11-5)4-8(10)13/h3-4,9H2,1-2H3,(H2,10,13)
InChIKeyVPCNODYJNFWIAC-UHFFFAOYSA-N
XLogP-0.56
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 86767563
methyl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;dihydrochloride
CID 71757186
propan-2-yl 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetate;hydrochloride
CID 71757919
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-butan-2-ylacetamide
CID 43647498
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-methylbutyl)acetamide
CID 54957515
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(4-chlorophenyl)acetamide
CID 43647566
1-(2-amino-2-oxoethyl)-3,5-dimethylpyrazole-4-sulfonyl chloride
CID 79015779
ethyl 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)acetate
CID 50888392
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]-N-(3-chlorophenyl)acetamide
CID 43647452
2-(3,5-dimethyl-4-prop-2-ynylpyrazol-1-yl)acetic acid
CID 167987589
2-[2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]ethoxy]ethanol
CID 61071648
[3,5-dimethyl-1-[(3-methylimidazol-4-yl)methyl]pyrazol-4-yl]methanamine
CID 66141535

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide?
The IUPAC name of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide (CID 43647536) is 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide.
What is the SMILES notation for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide?
The canonical SMILES for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide is Cc1nn(CC(N)=O)c(C)c1CN.
What is the InChIKey of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide?
The InChIKey is VPCNODYJNFWIAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O/c1-5-7(3-9)6(2)12(11-5)4-8(10)13/h3-4,9H2,1-2H3,(H2,10,13).
What are the key properties of 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide?
2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide has a molecular weight of 182.23 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)-3,5-dimethylpyrazol-1-yl]acetamide is sourced from PubChem (CID 43647536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).