(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine

C14H24BrN3O — CID 114661786

IUPAC(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine
SMILESCOC1(C(N)c2c(Br)cnn2C(C)C)CCCCC1
InChIInChI=1S/C14H24BrN3O/c1-10(2)18-12(11(15)9-17-18)13(16)14(19-3)7-5-4-6-8-14/h9-10,13H,4-8,16H2,1-3H3
InChIKeyAZLITCMEKPGBGI-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.58
Rot. Bonds4

About (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine (PubChem CID 114661786) has the molecular formula C14H24BrN3O and a molecular weight of 330.27 g/mol. Its IUPAC name is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine.

Molecular Properties

Compound Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine
PubChem CID114661786
Molecular FormulaC14H24BrN3O
Molecular Weight330.27 g/mol
Exact Mass329.11
IUPAC Name(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine
SMILESCOC1(C(N)c2c(Br)cnn2C(C)C)CCCCC1
InChIInChI=1S/C14H24BrN3O/c1-10(2)18-12(11(15)9-17-18)13(16)14(19-3)7-5-4-6-8-14/h9-10,13H,4-8,16H2,1-3H3
InChIKeyAZLITCMEKPGBGI-UHFFFAOYSA-N
XLogP3.58
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methylcyclopentyl)methanamine
CID 105042004
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanamine
CID 114662044
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycyclopentyl)methanamine
CID 114660630
[(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclohexyl)methyl]hydrazine
CID 105276226
(1-ethoxycyclohexyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanamine
CID 114661832
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanol
CID 114645787
(1-methoxycycloheptyl)-(4-methoxy-1-methylpyrazol-5-yl)methanamine
CID 114662048
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,2-dimethylcyclohexyl)methanamine
CID 107191008
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(1-methoxycycloheptyl)methanol
CID 114645923
(4-chloro-1-propan-2-ylpyrazol-5-yl)-(1-ethoxycyclopentyl)methanamine
CID 114661743
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-amine
CID 105042339
(4-bromo-1-propylpyrazol-5-yl)-(1-methoxycycloheptyl)methanol
CID 114645921

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine?
The IUPAC name of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine (CID 114661786) is (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine.
What is the SMILES notation for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine?
The canonical SMILES for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine is COC1(C(N)c2c(Br)cnn2C(C)C)CCCCC1.
What is the InChIKey of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine?
The InChIKey is AZLITCMEKPGBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24BrN3O/c1-10(2)18-12(11(15)9-17-18)13(16)14(19-3)7-5-4-6-8-14/h9-10,13H,4-8,16H2,1-3H3.
What are the key properties of (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine?
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine has a molecular weight of 330.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-propan-2-ylpyrazol-5-yl)-(1-methoxycyclohexyl)methanamine is sourced from PubChem (CID 114661786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).