1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine

C12H23N3O — CID 114657506

IUPAC1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
SMILESCCCCC(N)c1c(OC)cnn1C(C)C
InChIInChI=1S/C12H23N3O/c1-5-6-7-10(13)12-11(16-4)8-14-15(12)9(2)3/h8-10H,5-7,13H2,1-4H3
InChIKeyAAXCENGJBRSQAQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.66
Rot. Bonds6

About 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine (PubChem CID 114657506) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine.

Molecular Properties

Compound Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
PubChem CID114657506
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine
SMILESCCCCC(N)c1c(OC)cnn1C(C)C
InChIInChI=1S/C12H23N3O/c1-5-6-7-10(13)12-11(16-4)8-14-15(12)9(2)3/h8-10H,5-7,13H2,1-4H3
InChIKeyAAXCENGJBRSQAQ-UHFFFAOYSA-N
XLogP2.66
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)hexan-1-amine
CID 105048318
4-ethoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)butan-1-amine
CID 105186873
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylsulfanylethanamine
CID 114653547
1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105047246
1-(1-ethyl-4-methoxypyrazol-5-yl)hexan-1-amine
CID 105047983
[1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-propylpentyl]hydrazine
CID 105339522
3-methoxy-1-(4-methoxy-1-propylpyrazol-5-yl)propan-1-amine
CID 114648518
N-ethyl-2-methoxy-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)propan-1-amine
CID 114657701
2,2-diethoxy-N-ethyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114657606
2-(4-bromophenyl)sulfanyl-1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)ethanamine
CID 114656012
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)-2-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105186869
(4-methoxy-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopropyl)methanamine
CID 114658533

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine?
The IUPAC name of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine (CID 114657506) is 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine.
What is the SMILES notation for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine?
The canonical SMILES for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine is CCCCC(N)c1c(OC)cnn1C(C)C.
What is the InChIKey of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine?
The InChIKey is AAXCENGJBRSQAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-7-10(13)12-11(16-4)8-14-15(12)9(2)3/h8-10H,5-7,13H2,1-4H3.
What are the key properties of 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine?
1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-1-propan-2-ylpyrazol-5-yl)pentan-1-amine is sourced from PubChem (CID 114657506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).