N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine

C10H19N3O — CID 114652068

IUPACN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
SMILESCCNCc1c(OC)cnn1C(C)C
InChIInChI=1S/C10H19N3O/c1-5-11-6-9-10(14-4)7-12-13(9)8(2)3/h7-8,11H,5-6H2,1-4H3
InChIKeyWNWQZRFCWRSBBX-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.58
Rot. Bonds5

About N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine

N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine (PubChem CID 114652068) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
PubChem CID114652068
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC NameN-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine
SMILESCCNCc1c(OC)cnn1C(C)C
InChIInChI=1S/C10H19N3O/c1-5-11-6-9-10(14-4)7-12-13(9)8(2)3/h7-8,11H,5-6H2,1-4H3
InChIKeyWNWQZRFCWRSBBX-UHFFFAOYSA-N
XLogP1.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-3-ol
CID 114664968
5-(ethylaminomethyl)-1-propan-2-ylpyrazole-4-carboxylic acid
CID 117218029
4-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-2-one
CID 114663497
5-(3-bromohexyl)-4-methoxy-1-propan-2-ylpyrazole
CID 114665415
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methyl-N-propylpentan-3-amine
CID 114664319
4-methoxy-5-methyl-1-propan-2-ylpyrazole
CID 149332345
N-[[2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)cyclopentyl]methyl]ethanamine
CID 114667107
4-(ethylaminomethyl)-1-propan-2-ylpyrazol-5-amine
CID 117216764
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-4-methylpentan-1-amine
CID 114648733
2-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-2-ol
CID 114637115
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-3,3-dimethylbutan-1-ol
CID 114635721

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine (CID 114652068) is N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine is CCNCc1c(OC)cnn1C(C)C.
What is the InChIKey of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is WNWQZRFCWRSBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-11-6-9-10(14-4)7-12-13(9)8(2)3/h7-8,11H,5-6H2,1-4H3.
What are the key properties of N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine?
N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 197.28 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-1-propan-2-ylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 114652068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).