N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide

C13H22N4O2 — CID 51104735

IUPACN-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1c(CNCCNC(=O)C2CC2)c(C)nn1C
InChIInChI=1S/C13H22N4O2/c1-9-11(13(19-3)17(2)16-9)8-14-6-7-15-12(18)10-4-5-10/h10,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyDSVIVCMTQJFASG-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.35
Rot. Bonds7

About N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide

N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide (PubChem CID 51104735) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
PubChem CID51104735
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC NameN-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide
SMILESCOc1c(CNCCNC(=O)C2CC2)c(C)nn1C
InChIInChI=1S/C13H22N4O2/c1-9-11(13(19-3)17(2)16-9)8-14-6-7-15-12(18)10-4-5-10/h10,14H,4-8H2,1-3H3,(H,15,18)
InChIKeyDSVIVCMTQJFASG-UHFFFAOYSA-N
XLogP0.35
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.35
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 N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide (CID 51104735) is N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide is COc1c(CNCCNC(=O)C2CC2)c(C)nn1C.
What is the InChIKey of N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide?
The InChIKey is DSVIVCMTQJFASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-11(13(19-3)17(2)16-9)8-14-6-7-15-12(18)10-4-5-10/h10,14H,4-8H2,1-3H3,(H,15,18).
What are the key properties of N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide?
N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 51104735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).