N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride

C15H27ClN4O2 — CID 51104736

IUPACN-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride
SMILESCOc1c(CNCCNC(=O)C2CC2)c(C(C)C)nn1C.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-10(2)13-12(15(21-4)19(3)18-13)9-16-7-8-17-14(20)11-5-6-11;/h10-11,16H,5-9H2,1-4H3,(H,17,20);1H
InChIKeyUJLGUSIVUKFUCK-UHFFFAOYSA-N
MW330.86 g/mol
LogP1.59
Rot. Bonds8

About N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride

N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride (PubChem CID 51104736) has the molecular formula C15H27ClN4O2 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride
PubChem CID51104736
Molecular FormulaC15H27ClN4O2
Molecular Weight330.86 g/mol
Exact Mass330.18
IUPAC NameN-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride
SMILESCOc1c(CNCCNC(=O)C2CC2)c(C(C)C)nn1C.Cl
InChIInChI=1S/C15H26N4O2.ClH/c1-10(2)13-12(15(21-4)19(3)18-13)9-16-7-8-17-14(20)11-5-6-11;/h10-11,16H,5-9H2,1-4H3,(H,17,20);1H
InChIKeyUJLGUSIVUKFUCK-UHFFFAOYSA-N
XLogP1.59
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 51.59
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-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride?
The IUPAC name of N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride (CID 51104736) is N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride.
What is the SMILES notation for N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride?
The canonical SMILES for N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride is COc1c(CNCCNC(=O)C2CC2)c(C(C)C)nn1C.Cl.
What is the InChIKey of N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride?
The InChIKey is UJLGUSIVUKFUCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2.ClH/c1-10(2)13-12(15(21-4)19(3)18-13)9-16-7-8-17-14(20)11-5-6-11;/h10-11,16H,5-9H2,1-4H3,(H,17,20);1H.
What are the key properties of N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride?
N-[2-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride has a molecular weight of 330.86 g/mol, XLogP of 1.59, 8 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-methyl-3-propan-2-ylpyrazol-4-yl)methylamino]ethyl]cyclopropanecarboxamide;hydrochloride is sourced from PubChem (CID 51104736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).