2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide

C10H17ClN4O — CID 47016713

IUPAC2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide
SMILESCc1nn(C)c(Cl)c1CNCC(=O)N(C)C
InChIInChI=1S/C10H17ClN4O/c1-7-8(10(11)15(4)13-7)5-12-6-9(16)14(2)3/h12H,5-6H2,1-4H3
InChIKeyNCVHFXKTTAFCET-UHFFFAOYSA-N
MW244.73 g/mol
LogP0.56
Rot. Bonds4

About 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide

2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide (PubChem CID 47016713) has the molecular formula C10H17ClN4O and a molecular weight of 244.73 g/mol. Its IUPAC name is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide
PubChem CID47016713
Molecular FormulaC10H17ClN4O
Molecular Weight244.73 g/mol
Exact Mass244.11
IUPAC Name2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide
SMILESCc1nn(C)c(Cl)c1CNCC(=O)N(C)C
InChIInChI=1S/C10H17ClN4O/c1-7-8(10(11)15(4)13-7)5-12-6-9(16)14(2)3/h12H,5-6H2,1-4H3
InChIKeyNCVHFXKTTAFCET-UHFFFAOYSA-N
XLogP0.56
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.73
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide?
The IUPAC name of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide (CID 47016713) is 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide is Cc1nn(C)c(Cl)c1CNCC(=O)N(C)C.
What is the InChIKey of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide?
The InChIKey is NCVHFXKTTAFCET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O/c1-7-8(10(11)15(4)13-7)5-12-6-9(16)14(2)3/h12H,5-6H2,1-4H3.
What are the key properties of 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide?
2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide has a molecular weight of 244.73 g/mol, XLogP of 0.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-N,N-dimethylacetamide is sourced from PubChem (CID 47016713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).