1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine

C9H16ClN3O — CID 114657389

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)C(N)c1c(Cl)cnn1C
InChIInChI=1S/C9H16ClN3O/c1-9(2,14-4)8(11)7-6(10)5-12-13(7)3/h5,8H,11H2,1-4H3
InChIKeyJCZLAHOOTSHFKB-UHFFFAOYSA-N
MW217.70 g/mol
LogP1.50
Rot. Bonds3

About 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine

1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine (PubChem CID 114657389) has the molecular formula C9H16ClN3O and a molecular weight of 217.70 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine
PubChem CID114657389
Molecular FormulaC9H16ClN3O
Molecular Weight217.70 g/mol
Exact Mass217.10
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine
SMILESCOC(C)(C)C(N)c1c(Cl)cnn1C
InChIInChI=1S/C9H16ClN3O/c1-9(2,14-4)8(11)7-6(10)5-12-13(7)3/h5,8H,11H2,1-4H3
InChIKeyJCZLAHOOTSHFKB-UHFFFAOYSA-N
XLogP1.50
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanamine
CID 114658334
1-(4-chloro-1-methylpyrazol-5-yl)-2,2-dimethylpropan-1-ol
CID 114635695
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxybutan-1-amine
CID 114660965
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-ethyl-2-methoxybutan-1-amine
CID 114661699
[1-(4-chloro-1-propan-2-ylpyrazol-5-yl)-2-methoxy-2-methylpropyl]hydrazine
CID 105245533
2-(4-chloro-1-methylpyrazol-5-yl)propan-1-amine
CID 83827347
(4-chloro-1-methylpyrazol-5-yl)-(5-chloro-2-pyridinyl)methanol
CID 114644889
1-(4-methoxy-1-methylpyrazol-5-yl)-2,2-dimethylbutan-1-amine
CID 105047205
(4-tert-butylthiadiazol-5-yl)-(4-chloro-1-methylpyrazol-5-yl)methanamine
CID 105185942
(3R)-3-amino-3-(4-chloro-1-methylpyrazol-5-yl)propanamide
CID 130936273
1-(4-chloro-1-methylpyrazol-5-yl)-2,2,2-trifluoroethanol
CID 114643514
(4-chloro-1-methylpyrazol-5-yl)-(3-methoxythiophen-2-yl)methanamine
CID 105046501

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine (CID 114657389) is 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine is COC(C)(C)C(N)c1c(Cl)cnn1C.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine?
The InChIKey is JCZLAHOOTSHFKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3O/c1-9(2,14-4)8(11)7-6(10)5-12-13(7)3/h5,8H,11H2,1-4H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine?
1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine has a molecular weight of 217.70 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)-2-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114657389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).