(1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine

C12H21N3O — CID 116714074

IUPAC(1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)C2(OC)CCC2)cn1
InChIInChI=1S/C12H21N3O/c1-3-7-15-9-10(8-14-15)11(13)12(16-2)5-4-6-12/h8-9,11H,3-7,13H2,1-2H3
InChIKeyNICNTZDGMRLXBR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.86
Rot. Bonds5

About (1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine

(1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine (PubChem CID 116714074) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is (1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine
PubChem CID116714074
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name(1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine
SMILESCCCn1cc(C(N)C2(OC)CCC2)cn1
InChIInChI=1S/C12H21N3O/c1-3-7-15-9-10(8-14-15)11(13)12(16-2)5-4-6-12/h8-9,11H,3-7,13H2,1-2H3
InChIKeyNICNTZDGMRLXBR-UHFFFAOYSA-N
XLogP1.86
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(1-methoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105268662
[(1-methoxycyclohexyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105275993
N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 116762281
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 116766518
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
2-methoxy-1-(1-propylpyrazol-4-yl)propan-1-amine
CID 79617281
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044
methyl 2-amino-2-(1-propylpyrazol-4-yl)acetate
CID 103572127
2-(3-methoxy-3-methylpiperidin-1-yl)-2-(1-propylpyrazol-4-yl)ethanamine
CID 107391436
3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939
6-bicyclo[3.1.0]hexanyl-(1-propylpyrazol-4-yl)methanamine
CID 115807334
(4-chloro-1-ethylpyrazol-5-yl)-(1-methoxycyclobutyl)methanamine
CID 114660910

Frequently Asked Questions

What is the IUPAC name of (1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine?
The IUPAC name of (1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine (CID 116714074) is (1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine.
What is the SMILES notation for (1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine?
The canonical SMILES for (1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine is CCCn1cc(C(N)C2(OC)CCC2)cn1.
What is the InChIKey of (1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine?
The InChIKey is NICNTZDGMRLXBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-3-7-15-9-10(8-14-15)11(13)12(16-2)5-4-6-12/h8-9,11H,3-7,13H2,1-2H3.
What are the key properties of (1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine?
(1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methoxycyclobutyl)-(1-propylpyrazol-4-yl)methanamine is sourced from PubChem (CID 116714074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).