N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine

C10H19N3O — CID 63048672

IUPACN-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine
SMILESCOCCNc1n[nH]c(C(C)C)c1C
InChIInChI=1S/C10H19N3O/c1-7(2)9-8(3)10(13-12-9)11-5-6-14-4/h7H,5-6H2,1-4H3,(H2,11,12,13)
InChIKeyNWJZWMHFFJDYRB-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.90
Rot. Bonds5

About N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine

N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine (PubChem CID 63048672) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine
PubChem CID63048672
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine
SMILESCOCCNc1n[nH]c(C(C)C)c1C
InChIInChI=1S/C10H19N3O/c1-7(2)9-8(3)10(13-12-9)11-5-6-14-4/h7H,5-6H2,1-4H3,(H2,11,12,13)
InChIKeyNWJZWMHFFJDYRB-UHFFFAOYSA-N
XLogP1.90
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-(3-morpholin-4-ylpropyl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 71868941
5-ethyl-4-methyl-N-[(1S)-1-(oxan-4-yl)ethyl]-1H-pyrazol-3-amine
CID 97797604
N,5-dipentyl-4-(trifluoromethyl)-1H-pyrazol-3-amine
CID 70435083
N-(2-methoxyethyl)-5-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-3-amine
CID 64754310
5-ethyl-4-methyl-N-(4,4,4-trifluorobutan-2-yl)-1H-pyrazol-3-amine
CID 115921335
N-(cyclohexylmethyl)-5-ethyl-4-methyl-1H-pyrazol-3-amine
CID 91009522
4-(5-tert-butyl-1H-pyrazol-3-yl)morpholine
CID 121475938
N-(5-ethyl-4-methyl-1H-pyrazol-3-yl)acetamide
CID 123806749
N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide
CID 129181456
N-(oxan-4-yl)-5-propan-2-yl-1H-pyrazol-3-amine
CID 141502285
ethane;N-ethyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-amine;molecular hydrogen
CID 161362951
3,4-dimethyl-4,5,6,7-tetrahydro-2H-pyrazolo[3,4-b]pyridine;ethane
CID 166143646

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine?
The IUPAC name of N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine (CID 63048672) is N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine.
What is the SMILES notation for N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine?
The canonical SMILES for N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine is COCCNc1n[nH]c(C(C)C)c1C.
What is the InChIKey of N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine?
The InChIKey is NWJZWMHFFJDYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(2)9-8(3)10(13-12-9)11-5-6-14-4/h7H,5-6H2,1-4H3,(H2,11,12,13).
What are the key properties of N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine?
N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine has a molecular weight of 197.28 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-4-methyl-5-propan-2-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 63048672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).