N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide

C11H18N4O — CID 80688588

IUPACN-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
SMILESCn1cc(CCNCC(=O)NC2CC2)cn1
InChIInChI=1S/C11H18N4O/c1-15-8-9(6-13-15)4-5-12-7-11(16)14-10-2-3-10/h6,8,10,12H,2-5,7H2,1H3,(H,14,16)
InChIKeyMLDKEYNJFPBIQW-UHFFFAOYSA-N
MW222.29 g/mol
LogP-0.17
Rot. Bonds6

About N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide

N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide (PubChem CID 80688588) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
PubChem CID80688588
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC NameN-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
SMILESCn1cc(CCNCC(=O)NC2CC2)cn1
InChIInChI=1S/C11H18N4O/c1-15-8-9(6-13-15)4-5-12-7-11(16)14-10-2-3-10/h6,8,10,12H,2-5,7H2,1H3,(H,14,16)
InChIKeyMLDKEYNJFPBIQW-UHFFFAOYSA-N
XLogP-0.17
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]acetamide
CID 22196200
N-(2-methoxyethyl)-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide
CID 80689226
N-[(3-chlorocyclobutyl)methyl]-2-(1-methylpyrazol-4-yl)ethanamine
CID 103015220
2,2-dicyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001567
N'-hydroxy-2-[2-(1-methylpyrazol-4-yl)ethylamino]ethanimidamide
CID 80683125
4-[[2-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106133809
N-[4-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]cyclohexyl]oxolane-2-carboxamide
CID 169418153
N-cyclohexyl-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]acetamide
CID 80683107
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924536
3-(1-methylpyrazol-4-yl)-N-[(3R)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]propanamide
CID 124590228
tert-butyl 4-[2-(1-methylpyrazol-4-yl)ethylamino]piperidine-1-carboxylate
CID 103729464
N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentanamine
CID 112730166

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide?
The IUPAC name of N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide (CID 80688588) is N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide.
What is the SMILES notation for N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide?
The canonical SMILES for N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide is Cn1cc(CCNCC(=O)NC2CC2)cn1.
What is the InChIKey of N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide?
The InChIKey is MLDKEYNJFPBIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-15-8-9(6-13-15)4-5-12-7-11(16)14-10-2-3-10/h6,8,10,12H,2-5,7H2,1H3,(H,14,16).
What are the key properties of N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide?
N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide has a molecular weight of 222.29 g/mol, XLogP of -0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-[2-(1-methylpyrazol-4-yl)ethylamino]acetamide is sourced from PubChem (CID 80688588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).