4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide

C12H20N4O2 — CID 114097504

IUPAC4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCOCC2CC2)c1N
InChIInChI=1S/C12H20N4O2/c1-8-10(13)11(16(2)15-8)12(17)14-5-6-18-7-9-3-4-9/h9H,3-7,13H2,1-2H3,(H,14,17)
InChIKeyYTWORLDBCLFNKI-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.47
Rot. Bonds6

About 4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 114097504) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID114097504
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCCOCC2CC2)c1N
InChIInChI=1S/C12H20N4O2/c1-8-10(13)11(16(2)15-8)12(17)14-5-6-18-7-9-3-4-9/h9H,3-7,13H2,1-2H3,(H,14,17)
InChIKeyYTWORLDBCLFNKI-UHFFFAOYSA-N
XLogP0.47
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide (CID 114097504) is 4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCCOCC2CC2)c1N.
What is the InChIKey of 4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is YTWORLDBCLFNKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-8-10(13)11(16(2)15-8)12(17)14-5-6-18-7-9-3-4-9/h9H,3-7,13H2,1-2H3,(H,14,17).
What are the key properties of 4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 252.32 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(cyclopropylmethoxy)ethyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 114097504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).