2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide

C10H18N4O — CID 43754758

IUPAC2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
SMILESCC(C)c1nn(C)cc1CNCC(N)=O
InChIInChI=1S/C10H18N4O/c1-7(2)10-8(6-14(3)13-10)4-12-5-9(11)15/h6-7,12H,4-5H2,1-3H3,(H2,11,15)
InChIKeyPUTMSUUTCIXAQS-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.12
Rot. Bonds5

About 2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide

2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide (PubChem CID 43754758) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide.

Molecular Properties

Compound Name2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
PubChem CID43754758
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide
SMILESCC(C)c1nn(C)cc1CNCC(N)=O
InChIInChI=1S/C10H18N4O/c1-7(2)10-8(6-14(3)13-10)4-12-5-9(11)15/h6-7,12H,4-5H2,1-3H3,(H2,11,15)
InChIKeyPUTMSUUTCIXAQS-UHFFFAOYSA-N
XLogP0.12
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 60888952
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
methyl 4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]butanoate
CID 60782492
2,2,2-trifluoro-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethanamine
CID 43755117
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]prop-2-en-1-amine
CID 43755432
2-[4-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]piperidin-1-yl]acetamide
CID 43791284
[4-[[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]methyl]phenyl]methanol
CID 107229813
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-phenylmethanamine
CID 43757047
4-methyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]pentan-1-amine
CID 54893522
N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(2,2,3,3-tetramethylcyclopropyl)methanamine
CID 79353474
N',N'-diethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 43761834
2-ethyl-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-2-methylsulfanylbutan-1-amine
CID 103702126

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide?
The IUPAC name of 2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide (CID 43754758) is 2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide.
What is the SMILES notation for 2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide?
The canonical SMILES for 2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide is CC(C)c1nn(C)cc1CNCC(N)=O.
What is the InChIKey of 2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide?
The InChIKey is PUTMSUUTCIXAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-7(2)10-8(6-14(3)13-10)4-12-5-9(11)15/h6-7,12H,4-5H2,1-3H3,(H2,11,15).
What are the key properties of 2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide?
2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide has a molecular weight of 210.28 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]acetamide is sourced from PubChem (CID 43754758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).